Dean - Research

Prof. Ranjit Thapa 

Department of Physics


  1. Quantum Mechanics/Machine Learning Approach
  2. Catalyst: Theory
  3. Carbon and Boron Based Materials


Prof. Ranjit Thapa is designated as Dean-Research of SRM University-AP and a full professor in the Department of Physics, SRM University-AP. Prof. Ranjit, is actively involved in fostering a thriving research ecosystem at SRM University-AP, providing valuable insights on maintaining a harmonious balance between academics and research within the university system. Prof. Ranjit has researched Computational Material Science technologies for the past fourteen years. He received the Young Associate Award in 2016 from the Indian Academy of Science, Bangalore, for his outstanding research in Computational Materials Science. He was also chosen for BRNS’ Young Scientist’s Research Award (YSRA) in 2018. He was awarded the Best Researcher Award 2020 by SRM university-AP. He received the Outstanding Teachers Award in 2023 from SRM University-AP. He has published more than 160 research articles in highly reputed international journals. His current h-index is 35, with a total citation of more than 4200. Currently, he is developing a “Materials Database” under the funded projects. He has mentored eight PhD students to date. In 2016, under his leadership, SRM Institute of Science and Technology established a High-performance Computer Centre on the Chennai campus. Similarly, in 2022, He was pivotal in establishing a High-performance Computer Centre at SRM University-AP.

Prof. Ranjit’s research endeavours primarily revolve around the application of First-principles theory in investigations. Some of my notable contributions include the development of the "electronic and structural descriptor," a "Simple Graphical Construction" for identifying optimal catalysts for eNRR and CO2RR, the elucidation of the "Bond Exchange Spillover Mechanism”. The findings from these studies have been published in esteemed journals such as CARBON, Chemical Science, PNAS, Advanced Functional Materials, ACS Nano, Nano-Micro Letters, Journal of Materials Chemistry A, Inorganic Chemistry, Chemical Engineering Journal, Applied Catalyst B: Environmental, ACS Sustainable Chemistry & Engineering, Journal of Power Sources, Advanced Materials Technology, SMALL, Nano Energy, ACS Applied Materials & Interfaces, ACS Catalysis, and Nature Communications.



University of North Bengal


University of North Bengal


Jadavpur University


  • August 2023 – Till-date, Dean-Research, SRM University-AP
  • May 2019 – Till-date, Professor, Department of Physics, SRM University-AP
  • Feb 2023- September 2023, Dean (In-Charge), School of Engineering And Sciences, SRM University – AP
  • June 2022- Feb 2023, Associate Dean – Sciences (In-Charge), SEAS, SRM University-AP
  • Nov 2019 – June 2022, Head, Department of Physics, SRM University-AP
  • Mar 2017 – May 2019, Associate Professor (Research) | SRM Research Institute, SRM Institute of Science and Technology, Chennai
  • Jan 2013 – Mar 2017, Assistant Professor (Research) | SRM Research Institute, SRM Institute of Science and Technology, Chennai
  • Jan 2012 – Jan 2013, Post-Doctoral Fellow | Ulsan National Institute of Science and Technology, South Korea
  • Jan 2011 – Jan 2012, Research Associate | Indian Association for the cultivation of Science

Research Interest

  • Define electronic catalytic descriptor for metal nanoparticle considering composition, size, shape, and support.
  • General Descriptor of functional catalyst using Quantum Mechanics/Machine Learning Technique. Catalytic Reactions are CO Oxidation, OER/HER/ORR, NRR.
  • Correlation of “the degree of CO2 bending during adsorption” with “reduction pathways” and then categorized the mechanism for 2D materials.
  • 2D materials for Solar cell application: Origin of tuning the efficiency.

Awards & Fellowships

  • 2018, Young Scientist Research Award, Department of Atomic Energy, India.
  • 2016, Associateship, Indian Academy of Sciences, Bangalore, India.
  • 2015, ICTP-Full support fellowship-to attend “Workshop on Material Science for Energy Storage”, Abdus Salam International Centre For Theoretical Physics (ICTP),Trieste, Italy.
  • 2014, International Travel Grant, Science and Engineering Research Board.
  • 2005, GATE (Physical Science), IITs.
  • 2005, CSIR-JRF (Physical Science), CSIR-UGC NET.
  • 2005, JEST (Physical Science), Research Institute, India.
  • 2004, 1st Class 1st (MSc. Physics), University of North Bengal.


  • Core Member of Asian Consortium on Computational Materials Science
  • Life Member of Indian Science Congress Association

Ph.D. Guidance Completed

  1. Dr S. Sinthika, Title: “Dioxygen Reduction in the Energy Conversion Devices and CO Oxidation Using Metal-Free Catalysts: First-Principles Study”, Joining Date: July 15, 2013. PhD date: March, 24, 2017
  2. Dr E. Mathan Kumar, Title: “First-Principles Study of Hydrogen Storage Materials: Spillover Mechanism and Dehydrogenation”, Joining Date: 29th Oct. 2013. Thesis Submitted: August 03, 2017. PhD Viva on February 06, 2018
  3. Dr A. Rajkamal, Title: “Carbon Allotropes as Anode Materials for Lithium Ion Battery” Joining Date: Jan. 2014 (Co-Guide): PhD Viva on May 14, 2018
  4. Dr Vanshree Parey, Title: "First-Principles Identification of Gas Sensing Properties of Metal Free Materials" (Co-Guide) PhD Viva on July 02, 2021
  5. Dr Mullapudi Jyothirmai, Title: First-principles identification of quaternary chalcogenide based solar absorber materials. PhD Viva on August 10, 2021
  6. Dr Anjana Tripathi, Title: First Principles Identification of Reaction Mechanism for CO oxidation over Low Dimensional Catalysts, PhD Viva on Feb 27, 2023.
  7. Dr Samadhan Kapse, Title: Theoretical prediction of low dimensional electrocatalysts for oxygen evolution and oxygen/nitrogen reduction reactions, PhD Viva on March 21, 2023.
  8. Dr Deepak S. Gavali, Title: First-principles identification of electrode materials for Li-ion battery, PhD Viva on April 13, 2023.

Contribution to Institute’s Infrastructural Development

His visionary leadership as the member and Chairperson of different committees, Dean i/c - School of Engineering and Sciences & Dean Research and admin from school to university level fosters a collaborative learning environment. Prof. Ranjit was also involved in several initiatives on recruitment, policy-making, faculty performance management system, revamping of curriculum, admission, placement and examination issues, signing of MoUs, etc.

SRM-Supercomputer Center: Faculty In-charge (2014-2019), takes part from scratch to establish the facility at SRM IST.

SRM IST has setup a High Performance Computer Cluster (HPCC), called SRM-HPCC for catering to intensive computational tasks in numerous research areas, which would essentially be spearheaded by the SRM Research Institute. SRM-HPCC is currently based on 73 compute nodes (CN), A total of 1870 CPU cores with 16 TB RAM and Infiniband QLogic IB QDR 36 Port switch for interconnecting nodes are aimed at strengthening the computational capability of SRM IST in a large manner. The total servers are about 72 teraflop.

Patent Filled/Published

Title: Highly Stable Ruthenium Single-Atom Catalysts on Fe3O4/MWCNTs for Hydrogen Evolution Reaction
Investigators: Nagaraju D Dh, Shwetha K R, Shivanna M, Ranjit Thapa, Samadhan Kapse
Country of Filling: India
Indian Patent Application No – 202241006087, Journal Number: 23/2022

Title: Ruthenium Clusters on Iron Oxide/MWCNTs Catalysts -Method of Preparation and their Hydrogen Evolution Reaction Application
Investigators: REVA University, Ranjit Thapa, Samadhan Kapse, Shivanna M, Shwetha K R, Dr Nagaraju D 
Country of Filling: India
Indian Patent Application No – 202241006087
Filling Date: – 04/02/2022
Published Date: – 10/06/2022

Title: Tarnish resistant silver composition and a process for its preparation
Investigators: Goarke Sanjeeviah Vinod Kumar, Kozhakkattil Harsha, Thapa, Ranjit
Country of Filling: India
Indian Patent Application No – 202341002950
Date: – 4/01/2023


  • 1. Editorial: Advanced Catalyst, Ranjit Thapa, Catalysis Today, 370, 2021, 1. IF: 6.766
  • 2. Editorial: Asian consortium on computational materials science theme meeting on “first principles analysis & experiment: Role in energy research” 22–24 september 2016, SRM University, Kattankulathur, Chennai, India (ACCMS-TM 2016), Ranjit Thapa, Yoshiyuki Kawazoe, Volume 418, Part A, 2017, Page 1, IF: 6.707


S.No. Title Sponsoring Agency and Officer Concerned Period Amount (In Lakhs)
1 Dioxygen reduction using low dimensional materials in the energy generation/ storage device: first principles study, SB/FTP/PS028/2013
Role: PI
YSS-DST-SERB March 2014- March 2017
2 Development of Electrode Materials for High Energy Density Lithium ion Batteries and Computational Studies of Solar Absorber layers
Role: Computational Part Investigator
MNRE May 2016- Sep 2019
3 Mechanistic of CO Oxidation on Metal Free Catalyst and Property Package EMR-SERB August 2017-February 2021 35.45
4 First principles identification of descriptor for carbon based catalyst Role- PI YSS-BRNS August 2018 – (ongoing) 28.15
5 Catalysts for CO2 Reduction to C2 Product: Descriptor to Database Role- PI National Supercomputer Mission, DST-MeITy March 2021 – March 2023 (completed) 48.02
6 Design Principle of Single-Atom Catalyst for Nitrogen Fixation over HER: Energy Parameter, Electronic Descriptor and Database Role- PI Core Research Grant, Science and Engineering Research Board March 2022 - March 2025 30.9
7 General descriptor of catalysts to find the activity towards OER using Quantum Mechanics/Machine Learning approach Role – PI CRG-SERB March 2023- March 2026 (Ongoing) 20.46 Lakhs
8 Catalysts for CO2 Reduction to C2 Product: Descriptor to Database
Phase II Role- PI
National Supercomputer Mission, DST-MeITy April 2023 – March 2024 (ongoing) 23.00 Lakhs
9 Prediction of low dimensional electrocatalysts for NRR using QM/ML approach DAE-Board of Research in Nuclear Sciences Nov 2023- Oct 2026
38.00 Lakhs


  1. Greesh Kumar, Sabuj Kanti Das, Erakulan E. Siddharthan, Ashmita Biswas, Manisha Das, Ranjit Thapa and Ramendra Sundar Dey, Interfacially stacked covalent porous polymer on graphene favors electronic mobility: Ensuring accelerated oxygen reduction reaction kinetics by in situ study, Journal of Materials Chemistry A, 11, 2023, 18740-18754. IF: 11.9
  2. Swarnalatha Swain, Asif Iqbal, Sayali Patil, Ranjit Thapa, Manav Saxena, Arvind Jadhav, Akshaya K Samal, Octahedral Pd3Cu7 Catalysts on Diverse Support Materials for Efficient Hydrogen Evolution: Theoretical Investigation and Mechanistic Perspective, ACS Applied Materials & Interfaces, Accepted, 2023. IF: 9.5
  3. Ashadul Adalder, Sourav Paul, Narad Barman, Arpan Bera, Sougata Sarkar, Nilmadhab Mukherjee, Ranjit Thapa, Uttam Ghorai, Controlling Metal-Ligand Coordination Environment of Manganese Phthalocyanine in 1D-2D Heterostructure for Enhancing Nitrate Reduction to Ammonia, ACS Catalysis, 13, 2023, 13516–13527. IF: 12.9
  4. Sakshi, Samadhan Kapse, Ranjit Thapa, and Ramendra Sundar Dey, Engineering hydrophobic-aerophilic interface to boosts N2 diffusion and reduction through functionalization of fluorine in second coordination sphere, Chemical Science, 14, 2023, 8936-8945. IF:8.4
  5. Erakulan E. Siddharthan, Sourav Ghosh, Ranjit Thapa*, Bond Exchange Mechanism: Unveiling the Volmer-Tafel Pathway and an Electronic Descriptor for Predicting Hydrogen Evolution Reaction (HER) Activity of Borophene, ACS Applied Energy Materials, 6, 2023, 8941–8948. *Corresponding Author, IF: 6.4
  6. Editorial: Ranjit Thapa, Asim Bhaumik, Uttam Kumar Ghorai, Puru Jena, Advanced electrocatalysts for NRR and HER: Experimental and computational design and development, Catalysis Today, 2023, IF: 5.3
  7. Tufan Paul, Aditi Sahoo, Soumen Maiti, Deepak S. Gavali, Ranjit Thapa, and Rupak Banerjee, Halide Tunablility Leads to Enhanced Biomechanical Energy Harvesting in Lead-free Cs2SnX6-PVDF Composites, ACS Applied Materials and Interface, Accepted, 15, 2023, 34726–34741. IF: 10.383
  8. Sumanth Dongre S, Erakulan E.S, Ranjit Thapa, Shwetharani R, R. Geetha Balakrishna, Dual Vacancy Passivation in CsPbCl3 Perovskite Nanocrystals: Implications on Optoelectronic Applications, ACS Applied Nano Materials, 6, 2023, 3227–13237. IF: 6.14
  9. Bhavya M. Basavaraja, Ramya Prabhu Bantwal, Anjana Tripathi, Gautam Hegde, Neena, Susan John, Ranjit Thapa, Gopalkrishna Hegde, Geetha R. Balakrishna, Manav Saxena, Ali Altaee,e Akshaya K. Samala, Functionalized Silver Nanocubes for the Detection of Hazardous Analytes through SERS: Experimental and Computational Studies, ACS Sustainable Chemistry & Engineering, 11, 2023, 10605–10619. IF: 9.224
  10. Ashadul Adalder, Sourav Paul, Biswajit Ghorai, Samadhan Kapse, Ranjit Thapa, Abharana Nagendra, and Uttam Kumar Ghorai, Selective Electrocatalytic Oxidation of Nitrogen to Nitric Acid using Manganese Phthalocyanine, ACS Applied Materials and Interface, 15, 2023, 34642–34650. IF: 10.383
  11. Deepak S. Gavali, Abhijitha VG, B.R.K. Nanda, Ranjit Thapa*, Origin of high stability, enhanced specific capacity and low Li diffusion energy in Boron doped Li3V2(PO4)3, Journal of Energy Storage, 69, 2023, 107899. *Corresponding Author IF: 8.907
  12. Sakshi Bhardwaj, Samadhan Kapse, Soirik Dan, Ranjit Thapa* and Ramendra Sundar Dey, Elucidating the oxygen reduction reaction kinetics on defect engineered nanocarbon electrocatalyst: In-terplay between N-dopant and defect sites, Journal of Materials Chemistry A, 11, 2023, 17045-17055. *Corresponding Author IF: 14.51
  13. Puneethkumar M. Srinivasappa, Divya Prasad, Nitin K. Chaudhari, Akshaya K. Samal, Ranjit Thapa, E. Siddharthan, Arvind H. Jadhav. Trimetallic Oxide Foam as an Efficient Catalyst for Fixation of CO2 into Oxazolidinone: An Experimental and Theoretical Approach, ACS Applied Materials & Interfaces, 15, 2023, 21994. IF: 10.38
  14. Saddam Sk, Ragunath Madhu, Deepak S. Gavali, Vidha Bhasin, Ranjit Thapa, Shambhu Nath Jha, B. Dibyendu, Subrata Kundu and Ujjwal Pal, Ultrathin 2D NiCo-LDH nanosheet decorated NH2-UiO-66 MOF-nanocomposite with exceptional chemical Stability for electrocatalytic water splitting, Journal of Materials Chemistry A, 11, 2023, 10309. IF: 14.511
  15. Sagar Varangane, Taraka Prabhu Yendrapati, Anjana Tripathi, Ranjit Thapa, Sreedhar Bojja, Polumati Anand, Vijayanand Perupogu, Ujjwal Pal, Integrating Ultra-small Pd NPs into Core-shell Imidazolate Frameworks for Photocatalytic Hydrogen and MeOH Production, Inorganic Chemistry, 62, 2023, 7235. IF: 5.436
  16. Anjana Tripathi, Ranjit Thapa*, Optimizing CO2RR selectivity on Single Atom Catalysts using Graphical Construction and Identification of Energy Descriptor, CARBON, 208, 2023. 330-337, *Corresponding Author, IF: 11.307
  17. Prangya Bhol, Sayali Ashok Patil, Narad Barman, Erakulan ES, Ranjit Thapa, Manav Saxena, Ali Altaee, Akshaya K. Samal, Design and fabrication of cobaltx nickel(1-x) telluride microfibers on nickel foam for battery type supercapacitor and OER study, Materials Today Chemistry, 30, 2023, 101557. IF: 7.613
  18. Sourav Paul, Sougata Sarkar, Ashadul Adalder, Samadhan Kapse, Ranjit Thapa, and Uttam K. Ghorai, Strengthening the Metal Centre of Co-N4 Active Sites in 1D-2D Heterostructure for Nitrate and Nitrogen Reduction Reaction to Ammonia, Accepted, ACS Sustainable Chemistry & Engineering, 11, 2023, 6191. IF: 9.224
  19. Deepak S. Gavali, Ranjit Thapa*, Identification of Borophosphene/graphene heterostructure as anode for Li-ion Batteries and its origin, Journal of Power Sources, 566, 2023, 232947. *Corresponding Author, IF 9.794
  20. Prangya Bhol, Pallavi B. Jagdale, Narad Barman, Ranjit Thapa, Manav Saxena, Akshaya K. Samal, Design and Fabrication of Nickel Lanthanum Telluride Microfibers for Redox Additive Electrolyte-Based Flexible Solid-State Hybrid Supercapacitor, Journal of Energy Storage, 65, 2023, 107286. IF: 8.907
  21. Sagar Varangane, Aparna Jamma, Yendrapati Taraka Prabhu, Arun Karmakar; Subrata Kundu, Anjana Tripathi, Ranjit Thapa, Vidha Bhasin; Shambhu Nath Jha; Dibyendu Bhattacharyya, Ujjwal Pal, Pd Encapsulated Core-shell ZIF-8/ZIF 67 for Efficient Oxygen Evolution Reaction, Electrochemica Acta, 447, 2023, 142100. IF: 7.33
  22. Stesho Crystalin Lazuli. A. R., Ranjit Thapa, B. Neppolian, Photon driven nitrogen fixation via Ni-incorporated ZrO2/Bi2O3: p n heterojunction, Catalysis Today, 420, 2023, 114034. IF: 6.76
  23. Anjana Tripathi, Yoshiyuki Kawazoe, Ranjit Thapa, First-Principles identification of CO oxidation via LH mechanism over ER mechanism on metal-boron centered single-metal dual site catalyst, Molecular Catalysis, 535, 2023, 112885. IF: 5.089
  24. Suresh Saini, Deepak S. Gavali, Ramesh Bhawar, Ranjit Thapa, Rajendra S. Dhayal, and Shubhankar Kumar Bose, Facile synthesis of alkyl and aryl boronate esters enabled by carbon nanotubes supported copper catalyst, Catalysis Science & Technology, 13, 2023, 147. IF: 6.177
  25. Shwetha Kolathur Ramachandra, D. H. Nagaraju, Samadhan Kapse, Ranjit Thapa, Srinivasa Budagumpi, Zhoveta Yhobu, Synergetic effect of Ru @ octahedral site of Fe3O4 and charge transfer from rGO to Ru/Fe3O4 for improved hydrogen evolution reaction-experimental and DFT studies, Materials Letters, 331, 2023, 133450. IF: 3.574
  26. Samadhan Kapse, Narad Barman, Ranjit Thapa Identification of ORR Activity of Random Graphene-Based Systems Using the General Descriptor and Predictive Model Equation, Carbon, 201, 2023, 703. *Corresponding Author IF: 11.307
  27. M. Preeyanghaa, Erakulan ES, Ranjit Thapa, Muthupandian Ashokkumar and ‪ B. Neppolian, Scrutinizing the Role of Tunable Carbon Vacancies in g-C3N4 Nanosheets for Efficient Sonophotocatalytic Degradation of Tetracycline in Diverse Water Matrices: Experimental study and theoretical calculation, Chemical Engineering Journal, 452, 2023, 139437. IF: 16.744‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬
  1. Spandana Gonuguntla, Saddam Sk, Anjana Tripathi, Gopinath Jonnalagadda, Chandrani Nayak, D. Bhattacharyya, S. N. Jha, Ranjit Thapa, Annadanam V. Sesha Sainath, Vijayanand Perupogu, Ujjwal Pal, Anisotropic Phenanthroline based Ruthenium Polymer/Ti(MOF) triggers efficient H2 generation, Communication Chemistry, Article 5, 2022, 165. IF: 7.211
  2. K. Sreeraj, Narad Barman, Suthara Radhakrishnan, Ranjit Thapa, Chandra Rout, Hierarchical Architecture of Metallic VTe2/Ti3C2Tx MXene Heterostructure for Supercapacitor Applications, Journal of Materials Chemistry A, 10, 2022, 23590. IF: 14.511
  3. Sandhya Saini, Debabrata Chakraborty, E. S. Erakulan, Ranjit Thapa, Rajaram Bal, Asim Bhaumik, and Suman L Jain, Visible Light Driven Metal-Organic Framework Mediated Activation and Utilization of CO2 for the Thiocarboxylation of Olefins, ACS Applied Materials & Interfaces, 14, 2022, 50913. IF: 10.38
  4. Sree Raj K A, Narad Barman, Namsheer K, Ranjit Thapa, and Chandra Sekhar Rout, CrSe2/Ti3C2 MXene 2D/2D Hybrids as a Promising Candidate for Energy Storage Applications, Sustainable Energy & Fuels, 6, 2022, 5187-5198. IF: 6.813
  5. Ashmita Biswas, Samadhan Kapse, Ranjit Thapa, Ramendra Sundar Dey, Oxygen functionalization-induced charging effect on boron active sites for high-yield electrochemical NH3 production, Nano-Micro Letters, 14, 2022, Article No. 214. IF: 23.655
  6. Crescentia Yazhini, Jithin Rafi, Paromita Chakraborty, Samadhan Kapse, Ranjit Thapa, Bernaurdshaw Neppolian, Inner Filter Effect on Amino-Functionalized Metal-Organic Framework for the Selective Detection of Tetracycline, Journal of Cleaner Production, 373, 2022, 133929. IF: 11.072
  7. Samadhan Kapse, Shobhana Narasimhan, Ranjit Thapa, Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for eNRR, Chemical Science, 13, 2022, 10003. *Corresponding Author IF: 9.969
  8. Aditya Sharmaa, Samadhan Kapse, Ankur Verma, Sagar Bisoyi, Gopal K. Pradhan, Ranjit Thapa, Chandra Sekhar Rout, All-solid-state Supercapacitor Based on Advanced 2D Vanadium disulfide/Black Phosphorus Hybrids for Wearable Electronics, ACS Applied Energy Materials, 5 2022, 10315. *Corresponding Author IF: 6.959
  9. Jit Mukherjee, Sourav Paul, Ashadul Adalder, Samadhan Kapse, Ranjit Thapa, Sumit Mandal, Biswajit Ghorai, Sougata Sarkar and Uttam Kumar Ghorai, Understanding the Site-Selective Electrocatalytic Co-Reduction Mechanism for Green Urea Synthesis Using Copper Phthalocyanine Nanotubes, Advanced Functional Materials, 32, 2022, 2200882. IF: 19.924
  10. Ashmita Biswas†, Samadhan Kapse†, Bikram Ghosh, Ranjit Thapa, Ramendra Sundar Dey, Lewis acid-dominated aqueous electrolyte acting as co-catalyst and overcoming N2 activation issues on catalyst surface, Proceedings of the National Academy of Sciences (PNAS), 119, 2022, e2204638119. IF: 12.779 †Same Contributed First Author
  11. Subhajit Sarkar, Ashmita Biswas, E S, Erakulan, Ranjit Thapa, Ramendra Sundar Dey, Strategic modulation of target-specific isolated Fe,Co single-atom active sites for oxygen electrocatalysis impacting high power Zn-air battery,ACS Nano, 16, 2022, 7890. IF: 18.027
  12. Vanshree Parey, B. Abraham, Neeraj Gaur, Ranjit Thapa, First-Principles Study of Two-Dimensional B-Doped Carbon Nanostructures for Toxic Phosgene Gas Detection, ACS Applied Nano Materials, Accepted, 2022. *Corresponding Author IF: 6.140
  13. K. Namsheer, Samadhan Kapse, Mridula Manoj, Ranjit Thapa and Chandra Sekhar Rout, 2D-Black Phosphorus/Polyaniline Hybrids for Efficient Supercapacitor and Hydrogen Evolution Reaction Applications Check for updates, Sustainable Energy & Fuels, Accepted, 2022. IF: 6.367
  14. M B, Bhavya; B, Ramya; Tripathi, Anjana ; Yadav, Sudesh ; John, Neena; Thapa, Ranjit; Altaee, Ali; Saxena, Manav; Samal, Akshaya K, A unique bridging facets assembly of gold nanorods for the detection of thiram through SERS, ACS Sustainable Chemistry & Engineering, 10, 2022, 7330. IF: 9.224
  15. M. Jyothirmai, Ranjit Thapa, Role of Intrinsic Defects in Enhancing the Photo Absorption Capability of CuZn2AlSe4, ACS Omega, Accepted, 2022. *Corresponding Author IF: 4.132
  16. Subrata Karmakar, Deepak S. Gavali, Chetan D. Mistari, Ranjit Thapa, M. A. More, Dhrubananda Behera, Ariful Haque, Low-Temperature Spin-Canted Magnetism and Bipolaron Freezing Electrical Transition in Potential Electron Field Emitter NdNiO3, ACS Applied Electronic Materials, 4, 2022, 3134. IF: 4.494
  17. Lopamudra Giri, Bishnupad Mohanty, Ranjit Thapa, Bikash Kumar Jena, Venkateswara Rao Pedired, The Hydrogen Bonded Organic Framework Structure: A Metal Free Electrocatalyst for Evolution of Hydrogen, ACS Omega, 7, 2022, 22440. IF: 4.132
  18. Agasthiyaraj Lakshmanan, Deepak S. Gavali, K.S. Venkataprasanna, Ranjit Thapa, Debabrata Sarkar, Low Basis Weight Polyacrylonitrile/Polyvinylpyrrolidone Blended Nanofiber Membranes for Efficient Particulate Matter Capture, ACS Applied Polymer Materials, 4, 2022, 3971. IF: 7.392
  19. K. R. Shwetha, Doddahalli Nagaraju, M, Shivanna, Samadhan Kapse, Ranjit Thapa, Highly Efficient Catalysts of Ruthenium Clusters on Fe3O4/MWCNTs for Hydrogen Evolution Reaction, New Journal of Chemistry, 46, 2022, 7014. IF: 3.241
  20. Abhinandan Patra, Samadhan Kapse, Ranjit Thapa, Dattatray J. Late, Chandra Sekhar Rout, Quasi-one-dimensional van der Waals TiS3 nanosheets for energy storage applications: Theoretical predications and experimental validation, Applied Physics Letter, 120, 2022, 103102. IF: 3.971
  21. Subrata Karmakar, Bidisha Mukherjee, Alka Garg, Deepak Gavali, Ranjit Thapa, Saheli Banerjee, Goutam Dev Mukherjee, Ariful Haque, Dhrubananda Behera, Structural Metamorphosis and Bands Dislocation of Trirutile NiTa2O6 under Compression, Journal of Physical Chemistry C, 126, 2022, 4106. IF: 4.177
  22. Deepak S. Gavali, Yoshiyuki Kawazoe, Ranjit Thapa*, First-principles identification of interface effect on Li storage capacity of C3N/Graphene multilayer heterostructure, Journal of Colloid and Interface Science, 610, 2022, 80. *Corresponding Author IF: 9.965
  23. Pratik V. Shinde, Anjana Tripathi, Ranjit Thapa*, and Chandra Sekhar Rout*, Nanoribbons of 2D inorganic materials: A review on emerging trends, recent developments and future perspectives Coordination Chemistry Reviews, 453, 2022, 214335. *Corresponding Author IF: 24.833
  24. Sauvik Chatterjee, Surajit Das, Piyali Bhanja, Erakulan E. S., Ranjit Thapa, Santu Ruidas, Sayantan Chongdar, Suman Ray and Asim Bhaumik, Ag nanoparticles immobilized over highly porous crystalline organosilica for epoxidation of styrene using CO2 as oxidant Journal of CO2 Utilization, 55, 2022, 101843. IF 8.321
  25. Anjaiah Sheelam, Sakthipriya Balu, Adil Muneeb, Raju Kalaivanan, Bayikadi Khasim Saheb, Dhenadhayalan Namasivayam, Erakulan E S, Arif Imamdare, Ranjit Thapa, Ming-Hsi Chiang, Song-Jeng Huang, and Raman Sankar, Improved Oxygen Redox Activity by High-valent Fe and Co3+ Sites in Perovskite LaNi1-xFe0.5xCo0.5xO3, ACS Applied Energy Materials, 5, 2022, 343. IF: 6.959
  26. S. Sinthika, M. Pushpa Selvi, R. Nimma Elizabeth, Deepak S Gavali, Ranjit Thapa*, Understanding the role of lithium bonds in doped graphene nanoribbons as cathode hosts for Li-S batteries: A first-principles study, International Journal of Energy Research, 46, 2022, 4405. *Corresponding Author IF 4.672
  27. E S Erakulan, Ranjit Thapa, Origin of pure and C doped borophene stability and its activity for OER, Applied Surface Science*, 574, 2022, 151613. *Corresponding Author IF 7.392
  1. Santu Ruidas Santu Ruidas, Bishnupad Mohanty, Piyali Bhanja, Erakulan E. S., Ranjit Thapa, Prasenjit Das, Avik Chowdhury, Sanjay Mandal, Bikash Kumar Jena, Asim Bhaumik, Metal-Free Triazine based Covalent Organic Framework for Efficient H2 Evolution via Electrochemical Water-Splitting, ChemSusChem, 44, 2021, 5057. IF:9.140
  2. Samadhan Kapse, Bennet Benny, Pranab Mandal, Ranjit Thapa*, Design Principle of MoS2/C Heterostructure to Enhance the Quantum Capacitance for Supercapacitor Application, Journal of Energy Storage, 44, 2021, 103476. *Corresponding Author IF: 8.907
  3. Phiralang Marbaniang, Samadhan Kapse, Sagar Ingavale, Ranjit Thapa and Bhalchandra Kakade, Nitrogen doping derived bridging of Graphene and Carbon Nanotube composite for oxygen electroreduction, International Journal of Energy Research, 45, 2021, 21293. IF: 4.672
  4. Pratik V. Shinde, Deepak S. Gavali, Ranjit Thapa, Manoj Kumar Singh, Chandra Sekhar Rout, Ternary VS2/ZnS/CdS hybrids as efficient electrocatalyst for hydrogen evolution reaction: Experimental and theoretical insights, AIP Advances, 11, 2021, 105010. IF: 1.697
  5. Amritanjali Tiwari, Amit Gautam, Saddam Sk, Deepak S. Gavali, Ranjit Thapa, Ujjwal Pal, Controlled Loading of MoS2 on Hierarchical Porous TiO2 for Enhanced Photocatalytic Hydrogen Evolution, Journal of Physical Chemistry C, 125, 2021, 11950–11962. IF:4.177
  6. S. Murmu, S. Paul, S. Kapse, Ranjit Thapa, S. Chattopadhyay, Abharana N, S. N. Jha, D. Bhattacharyya and Uttam Kumar Ghorai, Unveiling the Genesis of the High Catalytic Activity in Nickel Phthalocyanine for Electrochemical Ammonia Synthesis, Journal of Materials Chemistry A, 9, 2021, 14477. IF: 14.511
  7. T. Partheeban; Deepak S. Gavali, Ranjit Thapa, Manickam Sasidharan, One-pot solvothermal synthesis of Co2P nanoparticles: an efficient HER and OER electrocatalysts, B. Thangadurai Jebaslinhepzybai International Journal of Hydrogen Energy, 46, 2021, 21924. IF: 7.139
  8. Rutuparna Samal, Mahima Bhat, Samadhan Kapse, Ranjit Thapa, Dattatray J Late, Chandra Sekhar Rout, Enhanced energy storage performance and theoretical studies of 3D cuboidal Manganese diselenides embedded multiwalled carbon nanotubes composite, Journal of Colloid & Interface Science, 598, 2021, 500. IF: 9.965
  9. Arnab Ghosh, Himanshu Saini, Arijit Sarkar, Puspendu Guha, Aneeya K. Samantara, Ranjit Thapa, Suman Mandal, Ajoy Mandal, J. N. Behera, Samit K. Ray and Dipak K. Goswami, Nitrogen Vacancy and Hydrogen Substitution Mediated Tunable Optoelectronic Properties of g-C3N4 2D Layered Structures: Applications towards Blue LED to Broad-band Photodetection, Applied Surface Science, 556, 2021, 149773. IF: 7.392
  10. Uttam Ghorai, Sourav Paul, Biswajit Ghorai, Ashadul Adalder, Samadhan Kapse, Ranjit Thapa, Abharana Nagendra, Amal Gain, Scalable Production of Cobalt Phthalocyanine Nanotubes: Efficient and Robust Hollow Electrocatalyst for Ammonia Synthesis at Room Temperature, ACS Nano, 15, 2021, 5230. IF: 18.027
  11. Samadhan Kapse, Shazia Janwari, Umesh V. Waghmare, Ranjit Thapa*, Energy Parameter and Electronic Descriptor for Carbon Based Catalyst Predicted using QM/ML, Applied Catalysis B: Environmental, 286, 2021 119866. *Corresponding Author IF: 24.319
  12. Paramita Banerjee, G.P. Das, Ranjit Thapa*, Computationally Exploring the Role of S-dopant and S-linker in Activating the Catalytic Efficiency of Graphene Quantum Dot for ORR, Catalysis Today, 370, 2021, 36. *Corresponding Author IF: 6.562
  13. Anjana Tripathi and Ranjit Thapa*, Promoting reactivity of graphene-based catalysts to achieve LH mechanism for CO oxidation,Catalysis Today, 370, 2021, 142. *Corresponding Author IF: 6.562
  14. Brinda K. N., Jan Grzegorz Małecki, Zhoveta Yhobua, Nagaraju D. H., Srinivas, Budagumpia, Erakulan E. S. and Ranjit Thapa, Novel Carbene Anchored Molecular Catalysts for Hydrogen Evolution Reactions, Journal of Physical Chemistry C, 125, 2021, 3793–3803. IF: 4.177
  15. Munu Borah, Anirban Sikdar, Samadhan Kapse, Abhisek Majumdar, Pronoy Dutta, Golam Masud Karim, Sujit Deb, Ranjit Thapa*, Uday Narayan Maiti* Stable and boosted oxygen evolution efficiency of mixed metal oxide and borate planner heterostructure over heteroatom (N) doped electrochemically exfoliated graphite foam, Catalysis Today, 370, 2021, 83. *Corresponding Author IF: 6.562 541.729
  16. A. Lakshmanan, Deepak S. Gavali, Ranjit Thapa, Debabrata Sarkar, Synthesis of CTAB Functionalized Large-Scale Nanofibers Air Filter Media for Efficient PM2.5 Capture Capacity with Low Airflow Resistance, ACS Applied Polymer Materials, 3, 2021, 937. IF: 7.392
  17. Avishek Dey, Gauthaman Chandra bose, Lois A.O.Damptey, E.S.Erakulan, Ranjit Thapa, Siarhei Zhuk, Goutam Kumar Dalapati, Seeram Ramakrishna, Nicholas St. J.Braithwaite, Amir Shirzadi, Satheesh Krishnamurthy, Cu2O/CuO heterojunction catalysts through atmospheric pressure plasma induced defect passivation, Applied Surface Science, 541, 2021, 148571. IF: 7.392
  18. Deepak S. Gavali and Ranjit Thapa, Synergetic effect of localized and delocalized π electron on Li storage properties of Si/C heterostructures, CARBON, 171, 2021, 257. *Corresponding Author IF: 11.307
  19. Charge trapping characteristics of sputter-AlOx/ALD Al2O3 /Epitaxial-GaAs-based non-volatile memory. Chandreswar Mahata, Siddhartha Ghosh, Sandipan Chakraborty, Laxmi Narayana Patro, Anjana Tripathi, Ranjit Thapa, Seeram Ramakrishna, Sungjun Kim, Goutam Kumar Dalapati, Journal of Materials Science: Materials in Electronics 32, 2021, 4157. IF: 2.779
  1. R, Shwetharani, Samadhan Kapse, Ranjit Thapa, D H, Nagaraju; Balakrishna, R. Geetha, Dendritic Ferroselite (FeSe2) with 2D Carbon Based Nanosheets of rGO and g-C3N4 as Efficient Catalysts for Electrochemical Hydrogen Evolution, ACS Applied Energy Materials, 3, 2021, 12682–12691, IF: 6.959
  2. Indrajit M. Patil, Samadhan Kapse, Haridas Parse, Ranjit Thapa, Gunther Andersson, Bhalchandra Kakade, 2D/3D Heterostructure of h-BN/reduced Graphite Oxide as a Remarkable Electrode Material for Supercapacitor, Journal of Power Sources, 479, 2020, 229092. IF: 9.127
  3. S. Karmakar, Alka B. Garg, Mrinmay Sahu, Anjana Tripathi, Goutam Dev Mukherjee, Ranjit Thapa, and D. Behera, Pressure-induced octahedral tilting distortion and structural phase transition in columbite structured NiNb2O6, Journal of Applied Physics 128, 2020, 215902. IF: 2.877
  4. Anjana Tripathi, Chavana Hareesh, S. Sinthika, Gunther Andersson, Ranjit Thapa, CO Oxidation on Pt based Binary and Ternary Alloy Nanocatalysts: Reaction Pathways and Electronic Descriptor, Applied Surface Science, 528, 2020, 146964. *Corresponding Author IF: 7.392
  5. Puspendu Guha, Bishnupad Mohanty, Ranjit Thapa, R Kadam, P. Satyam, Bikash Kumar Jena, Defects Engineered MoO2 Nanostructures as an Efficient Electrocatalyst for Oxygen Evolution Reaction, ACS Applied Energy Materials, 3, 2020, 5208. IF: 6.959
  6. E S Erakulan, Mathan Kumar E, Puru Jena, Ranjit Thapa, B2H6 splitting on catalytic surfaces and role of BH3 towards hydrogen spillover, Journal of Power Sources, 2020, 455, 227973. *Corresponding Author, IF: 9.127
  7. Subrata Karmakar, B. Raviteja, C. D. Mistari, V. Parey, R. Thapa, M. More, D. Behera, Superior Field Emission and Alternating Current Conduction Mechanisms for Grains and Grain Boundaries in an NiO-[CdO]2 Nanocomposite, Journal of Physics and Chemistry of Solids, 142, 2020, 109462 IF: 3.995
  8. Shreya Sarkar, Lakshay Dheer, C. P. Vinod, Ranjit Thapa, Umesh V. Waghmare and Sebastian C. Peter, Stress Induced Electronic Structure Modulation of Mnincorporated, Ni2P Leading to Enhanced Activity for Water- Splitting, ACS Applied Energy Materials, 3, 2020, 1271-1278. IF: 6.959
  9. Himanshu Saini, M. V. Jyothirmai, Umesh V. Waghmare, Ranjit Thapa, Role of van der Waals interaction to enhance the photon absorption capability of MoS2/2D heterostructures, Physical Chemistry Chemical Physics, 22, 2020, 2775-2782 *Corresponding Author IF: 3.945
  10. Subrata Karmakar, Vanshree Parey, Chetan Mistari, Ranjit Thapa, Mahendra More, and Dhrubananda Behera, Electric Field Emission and Anomalies of Electrical conductivity above room temperature in Heterogeneous NiO-SnO2 Nano-Ceramic Composites, Journal of Applied Physics, 127, 2020, 034102. IF: 2.877
  11. Subrata Karmakar, Vanshree Parey, Chetan Mistari, Ranjit Thapa, Mahendra More, and Dhrubananda Behera, Fowler-Nordheim Law Correlated Improved Field Emission in Self-Assembled NiCr2O4 Nanosheets, physica status solidi (a) – applications and materials science, 217, 2020, 1900741. IF: 2.170
  12. Ambika Ray, Tanmoy Basu, Banarji Behera, Deepak S. Gavali, Ranjit Thapa, Pratibindhya Nayak, Structural, dielectric, electrical properties of Nd doped double perovskite ceramics and variation of density of states upon doping, Materials Chemistry and Physics, 239, 2020, 122250. IF: 4.778
  1. M. V. Jyothirmai, Himanshu Saini, Noejung Park, and Ranjit Thapa*, Screening of Suitable Cationic Dopants for Solar Absorber Material CZTS/Se: A first-principles study, Scientific Reports, 9, Article number: 15983, 2019. *Corresponding Author IF: 4.996
  2. Subrata Karmakar, Chetan D. Mistari, Vanshree Parey, Ranjit Thapa, Mahendra More, Dhrubananda Behera, Microporous Network of NiMn2O4 as Potent Cathode Materials for Electric Field Emission, Journal of Physics D: Applied Physics, 53, 2019, 5. IF: 3.409
  3. Paramita Banerjee, Ranjit Thapa, A. Rajkamal, K. R. S. Chandrakumar, G. P. Das, First-principles identification of the origin for higher activity of surface doped carbon nanohorn: Impact on hydrogen storage, International Journal of Hydrogen Energy, 44, 2019, 23196. IF: 7.139
  4. Chandra Shekar Bhatt, Bharathkumar Nagaraj, Deepanjan Ghosh, Ramasamy Suresh, Ranjit Thapa, Sreekar Babu Marpu and Anil Kumar Suresh, Core-composite mediated separation of diverse nanoparticles to purity, Soft Matter, 15, 2019, 7787-7794. IF: 4.046
  5. Shatabda Bhattacharya, Diptiman Dinda, E. Mathan Kumar, Ranjit Thapa and Shyamal K. Saha, Charge transfer induced anomalous magnetic behavior in 2D α-Fe2O3 nanosheets grown on Graphene surface, Journal of Applied Physics, 125, 2019, 233904. IF: 2.877
  6. A. Rajkamal, and Ranjit Thapa*, Review on Carbon Allotropes as Anode Material for Lithium-Ion Batteries, Advanced Materials Technology, 4, 2019, 1900307 *Corresponding Author IF: 8.856
  7. Vanshree Parey, M. V. Jyothirmai, E. Mathan Kumara Biswajit Saha, N. K. Gaur, Ranjit Thapa* Homonuclear B2/B3 doped carbon allotropes as a universal gas sensor: Possibility of CO oxidation and CO2 hydrogenation, Carbon, 143, 2019, 38-50. *Corresponding Author IF: 11.307
  1. Rajarshi Roy#, Ranjit Thapa#, Shibsankar Biswas, Subhajit Saha, Uttam Kumar Ghorai, Dipayan Sen, E. Mathan Kumar, Gundam Sandeep Kumar, Nilesh Mazumder and Kalyan Kumar Chattopadhyay, Resonant energy transfer in van der Waal stacked MoS2 – functionalized graphene quantum dots composite with ab-initio validation, 10, 2018, 16822, Nanoscale, #Same contributed first author IF- 8.307
  2. Soubhik Chakrabarty, A H M Abdul Wasey, Ranjit Thapa* and G P Das, Origin of spin polarization in an edge boron doped zigzag graphene nanoribbon: a potential spin filter, 29, 2018, 345203. *Corresponding Author IF- 3.953
  3. Shekhar Bag, Shatabda Bhattacharya, Diptiman Dinda, M. V. Jyothirmai, Ranjit Thapa, and Shyamal K. Saha, Induced ferromagnetism and metal-insulator transition due to a charge transfer effect in silver nanoparticle decorated MoS2, Physical Review B, 98, 2018, 014109 IF- 3.908
  4. run Bera, Krishna Deb, S Sinthika, Ranjit Thapa and Biswajit Saha, Chemical modulation of valance band in delafossite structured CuFeO2 thin film and its photoresponse, Mater. Res. Express 5, 2018, 015909. IF- 2.025
  5. Ambika Ray, Tanmoy Basu, Banarji Behera, Mathan Kumar, Ranjit Thapa, Pratibindhya Nayaka Role of Gd-doping in conduction mechanism of BFO-PZO nanocrystalline composites: Experimental and first-principles studies, Journal of Alloys and Compounds, 768, 2018, 198-213 IF- 6.371
  6. S. Sinthika, U. V. Waghmare* and Ranjit Thapa*, First-principles identification of structural and electronic descriptors for graphene based catalysts, Small, 14, 2018, 1703609 *Corresponding Author IF- 15.153
  7. A. Rajkamal, S. Sinthika, Gunther Andersson, and Ranjit Thapa*, Ring type and p electron occupancy decides the Li-ion storage properties of Phagraphene: An example of sp2 hybridized carbon structure, Carbon, 129, 2018, 775, *Corresponding Author IF- 11.307
  8. Moorthi Lokanathana, Indrajit M. Patila, M. Navaneeth and Ranjit Thapa*, Bhalchandra Kakade*, Designing of stable and highly efficient ordered Pt2CoNi ternary alloy electrocatalyst: The origin of dioxygen reduction activity, Nano Energy, 43, 219–227, 2018, *Corresponding Author IF- 19.069
  1. E. Mathan Kumar, A. Rajkamal and Ranjit Thapa*, First-principles study on dehydrogenation of MgH2: Layer dependent doping and screening based approach, Scientific Reports, 7, 15550, 2017. *Corresponding Author IF- 4.996
  2. A Bera, K Deb, T Bera, S Sinthika, Ranjit Thapa, B Saha, Effect of Mg substitution in delafossite structured CuFeO2 thin film deposited on FTO coated glass substrate and its diode characteristics, Thin Solid Films, 642, 2017, 316-323. IF- 2.358
  3. Puspendu Guha, Arnab Ghosh, Ranjit Thapa, E. Mathan Kumar, Ponnambalam, Sabari kirishwaran, Ranveer Singh, Rarlapalli Satyam, Ag nanoparticles decorated molybdenum oxide structures: Growth, characterizations, DFT studies and their application for enhanced field emission" Nanotechnology, 28, 2017, 41. IF- 3.953
  4. Rajarshi Roy, Ranjit Thapa, Soubhik Chakrabarty, Arunava Jha, E. Mathan Kumar, Kalyan K. Chattopadhyay, Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide, Chemical Physics Letters, 677, 2017, 80-86. IF- 2.719 329.056
  5. S. Nandhini, A. Rajkamal, Biswajit Saha and Ranjit Thapa*, First-Principles Identification of Site Dependent Activity of Graphene based Catalyst, Molecular Catalysis, 432, 2017, 242. *Corresponding Author IF- 5.089
  6. Shatabda Bhattacharya, E. Mathan Kumar, Ranjit Thapa and Shyamal K. Saha, “Interlayer exchange coupling in Ni(OH)2/Graphene/Ni(OH)2 nanostructure using charge transfer effect at the interface”, Applied Physics Letter, 110, 2017, 032404. IF- 3.791
  7. Paramita Banerjee, Soubhik Chakrabarty, Ranjit Thapa*and G.P. Das, Exploring the catalytic activity of pristine T6[100] surface for oxygen reduction reaction: A first-principles study, Applied Surface Science, 418, 2017, 56-63. *Corresponding Author IF- 7.392
  8. Arun Bera, Kamanashis Sarkar, Krishna Deb, Ranjit Thapa, Biswajit Saha, Schottky diode behaviour with excellent photoresponse in NiO/FTO heterostructure, Applied Surface Science, 418, 2017, 328-334. IF- 7.392
  9. Soubhik Chakrabarty, Tisita Das, Paramita Banerjee, Ranjit Thapa, G. P. Das, Electron doped C2N monolayer as efficient noble metal-free catalysts for CO oxidation, Applied Surface Science, 418, 2017, 92-98 . *Corresponding Author IF- 7.392
  10. Arun Bera, Krishna Deb, A Kathirvel, T Bera, Ranjit Thapa, Biswajit Saha, Flexible diode of Polyaniline/ITO heterojunction on PET substrate, Applied Surface Science, 418, 2017, 264-269. IF- 7.392
  1. A. Rajkamal, E. Mathan Kumar, V. Kathirvel, Noejung Park, and Ranjit Thapa*, “Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study”, Scientific Reports, 6, 37822 2016. *Corresponding Author IF 4.996
  2. Rajarshi Roy#, Ranjit Thapa#, Gundam S. Kumar, Nilesh Mazumder, Dipayan Sen, S. Sinthika, Nirmalya S. Das and Kalyan K. Chattopadhyay, “Colossal magnetoresistance in amino functionalized graphene quantum dots at room temperature: Manifestation of weak anti-localization and doorway to spintronics”, Nanoscale, 8, 8245-8254, 2016. #Same Contributed First Author IF- 8.307
  3. S. Sinthika, Vala Surya Teja, Y. Kawazoe, Ranjit Thapa* CO Oxidation Prefers Eley–Rideal or Langmuir–Hinshelwood Pathway: Monolayer vs. Thin Film of SiC. ACS Applied Materials & Interface, 8, 5290–5299, 2016. *Corresponding Author IF -10.383
  4. A. Ghosh, P. Guha, Ranjit Thapa, S. Sinthika, M. Kumar, B. Rakshit, T. Dash, P. V. Satyam, Tuning Work Function of Randomly Oriented ZnO nanostructures by capping with Faceted Au nanostructure and Oxygen defects: Enhanced Field Emission Experiments and DFT studies, Nanotechnology, 27, 125701, 2016. IF- 3.953
  5. E. Mathan Kumar, B. Prajapat, B. Saha, Ranjit Thapa*, Spillover of Hydrogen on SiC-ML Surface: Doping Effect and Bond Exchange Mechanism, International Journal of Hydrogen Energy, 41, 3928, 2016. *Corresponding Author IF- 7.139
  6. K. Iyakutti, E. Mathan Kumar, Ranjit Thapa, R. Rajeswarapalanichamy, V. J. Surya, Y. Kawazoe, Effect of multiple defects and substituted impurities on the band structure of graphene: a DFT study, Journal of Materials Science: Materials in Electronics, 2016. IF- 2.779
  7. A. Bera, K. Deb, K.K. Chattopadhyay, Ranjit Thapa, B. Saha, Mixed phase delafossite structured p type CuFeO2/CuO thin film on FTO coated glass and its Schottky diode characteristics, Microelectronic Engineering, 162, 23–26, 2016. IF- 2.523
  8. K. Iyakutti, E. Mathan Kumar, I. Lakshmi, Ranjit Thapa, R. Rajeswarapalanichamy, V. J. Surya, Y. Kawazoe, Effect of surface doping on the band structure of graphene: a DFT study, Journal of Materials Science: Materials in Electronics, 27, 2728, 2016. IF- 2.7796
  1. U. N. Maiti, Ranjit Thapa, J. Lim, D. J. Li, S. O. Kim, Self-Size-Limiting Nanoscale Perforation of Graphene for Dense Heteroatom Doping, ACS Applied Materials & Interface, 7, 25898, 2015. IF 10.383
  2. S. Sinthika, E. Mathan Kumar, V. J. Surya, Y. Kawazoe, Noejung Park, K. Iyakutti, Ranjit Thapa*, Activation of CO and CO2 on Homonuclear Boron Bonds of Fullerene-like BN Cages: First Principles Study, Scientific Reports, 5, 17560, 2015. *Corresponding Author IF- 4.996
  3. S. Sinthika, Ranjit Thapa*, Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene, RSC Advances, 5, 93215, 2015. *Corresponding Author IF- 4.036
  4. Kusha Kumar Naik, Ruchita T. Khare, Rogerio V. Gelamo, Mahendra A. More, Ranjit Thapa, Dattatray J. Late, Chandra Sekhar Rout, Enhanced electron field emission from NiCo2O4 nanosheet arrays, Materials Research Express, 2 (2015) 095011. IF- 2.025
  5. Soubhik Chakrabarty, A. H. M. Abdul Wasey, Ranjit Thapa,* G. P. Das, First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device", AIP Advances, 5 (2015) 087163. *Corresponding Author IF- 1.548
  6. A. Samantara, D. Mishra, S. Suryawanshi, M. More, Ranjit Thapa, D. J. Late, B. K. Jena, C. S. Rout, “Facile synthesis of Ag nanowires-rGO composites and their promising field emission performance”, RSC Advances, 5 (2015) 41887. IF-4.036
  7. Dongbin Shin, Ranjit Thapa,* Noejung Park,* "An oxygen reduction catalytic process through superoxo adsorption states on n-type doped h-BN: a first-principles study", Current Applied Physics, 15, (2015) 727–732. *Corresponding Author IF- 2.856 220.725
  8. S. Nandy, Ranjit Thapa, M. Kumar, T. Som, N. Bundaleski, O. M.N.D. Teodoro, R. Martins, E. Fortunato, “Efficient Field Emission from Vertically Aligned Cu2O1δ(111) Nanostructure Influenced by Oxygen Vacancy”, Advanced Functional Materials, 25 (2015) 947–956. IF- 19.924
  9. S. Ratha, R. Khare, M. A. More, Ranjit Thapa, D. J. Late, C. S. Rout, "Field Emission properties of spinel ZnCo2O4 Microflowers",RSC Advances, 5 (2015) 5372-5378. IF- 4.036
  10. E. Mathan Kumar, S. Sinthika and Ranjit Thapa,* "First principles guide to tune h-BN nanostructures as superior light element based hydrogen storage material: Role of bond exchange spillover mechanism", Journal of Materials Chemistry A, 3 (2015) 304-313. *Corresponding Author, IF- 14.511
  11. A. Beraa, Ranjit Thapa, K. K. Chattopadhyay, B. Saha, In plane conducting channel at the interface of CdO-ZnO isotype thin film heterostructure,Journal of Alloys and Compounds, 632 (2015) 343-347. IF: 6.371
  12. A. Debnatha, Ranjit Thapa, K. K. Chattopadhyay, B. Saha, Spectroscopic studies on interaction of Congo red with Ferric Chloride in aqueous medium for waste water treatment, Separation Science and Technology, 50 (2015) 1684-1688. IF- 2.475
  13. Ranjit Thapa,* Saurabh Ghosh, S. Sinthika S, E. Mathan Kumar, Noejung Park, "Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study", Journal of Alloys and Compounds, 620 (2015) 156-163. *Corresponding Author IF- 6.371
  1. K. K. Naik, R. Khare, D. Chakravarty, M. A. More, Ranjit Thapa,* D. J. Late,* C. S. Rout,* Field Emission properties of ZnO Nanosheet Arrays, Applied Physics Letters, 105 (2014) 233101. *Corresponding Author IF- 3.791
  2. Dongbin Shin, S. Sinthika, Min Choi, Ranjit Thapa,* Noejung Park,* "Ab initio study of thin oxide-metal overlayers as an inverse catalytic system for dioxygen reduction with enhanced CO tolerance", ACS Catalysis, 4 (2014) 4074–4080. *Corresponding Author IF- 13.084
  3. D. Sen#, Ranjit Thapa# and K. K. Chattopadhyay, "A first-principles investigation of oxygen reduction reaction catalysis capabilities of As decorated defect graphene", Dalton Transactions, 43 (2014) 15038. #Same Contributed First Author IF- 4.390
  4. S. Sinthika, E. Mathan Kumar, Ranjit Thapa*, Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: role of dopant and water in activity and catalytic de-poisoning", Journal of Materials Chemistry A, 2 (2014) 12812 - 12820. *Corresponding Author. IF -14.511
  5. S. Sinthika, E. Mathan Kumar, Ranjit Thapa*, Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: role of dopant and water in activity and catalytic de-poisoning", Journal of Materials Chemistry A, 2 (2014) 12812 - 12820. *Corresponding Author. IF -14.511
  6. D. Sen, Ranjit Thapa, K. K. Chattopadhyay, "Rules of B-N doping in defect graphene sheet: A first-principles investigation of bandgap tuning and ORR catalysis capabilities", ChemPhysChem, 15 (2014) 2542-2559. IF- 3.520
  7. G. Sandeep Kumar, Rajarshi Roy, Dipayan Sen, Uttam K. Ghorai, Ranjit Thapa, Nilesh Mazumder, Subhajit Saha and Kalyan K. Chattopadhyay, "Amino-functionalized Graphene Quantum Dots: Origin of Tunable Hetrogeneous Photoluminescence" Nanoscale, 6 (2014) 3384-3391. IF- 8.307
  1. Ranjit Thapa*, G. P. Das, "Optical and Vibrational properties of hydrogenated BN-sheet: First Principle study", Applied Surface Science, 284 (2013) 638– 643. *Corresponding Author.IF- 7.392
  2. Ruiguo Cao, Ranjit Thapa, Hyejung Kim, Xiaodong Xu, Min Gyu Kim, Qing Li, Noejung Park, Meilin Liu, Jaephil Cho, Promotion of Oxygen Reduction by a Bio-inspired FePc-Py-CNTs Catalyst, Nature Communications, 4 (2013) Article No. 2076. IF- 17.694
  3. D. Sen, Ranjit Thapa, K. K. Chattopadhyay, "Small Pd cluster adsorbed double vacancy defect graphene sheet for hydrogen storage: A first-principles study", International Journal of Hydrogen Energy, 38 (2013) 3041. IF- 7.139
  1. 120. Ranjit Thapa, Noejung Park, "First-Principles Identification of Iodine Exchange Mechanism in Iodide Ionic Liquid", The Journal of Physical Chemistry Letters, 3 (2012) 3065−3069. IF- 6.888
  2. Ranjit Thapa, S. Maiti, T. H. Rana, U. N. Maiti and K. K. Chattopadhyay, “TiO2 Nanoparticles synthesis via simple hydrothermal route: Degradation of Orange II, Methyl Orange and Rhodamine B”, Journal of Molecular Catalysis A: Chemical, 363-364 (2012) 223-229. IF- 5.089
  3. A Jha, Ranjit Thapa and K. K. Chattopadhyay, “Structural transformation from Mn3O4 nanorods to nanoparticles and band gap tuning via Zn doping”, Materials Research Bulletin, 47 (2012) 813-819. IF- 5.600
  4. D. Sen, Ranjit Thapa, K. Bhattacharjee and K. K. Chattopadhyay, “Site dependent metal adsorption on (3x3) h-BN monolayer: Stability, Magnetic and Optical properties”, Computational Materials Science, 56 (2012) 165-171. IF- 3.572
  1. A. Sen, U.N. Maiti, Ranjit Thapa and K. K. Chattopadhyay, “Temperature-dependent ac conductivity and dielectric response of vanadium doped CaCu3Ti4O12 ceramic”, Applied Physics A: Materials Science and Processing, 104 (2011) 1105-1111. IF- 2.584
  2. Ranjit Thapa, D. Sen, M. K. Mitra, and K. K. Chattopadhyay, “Palladium atoms and its dimers adsorbed on graphene: first principles study”, Physica B: Condensed Matter, 406 (2011) 368–373. IF- 2.436
  1. Ranjit Thapa, B. Saha and K. K. Chattopadhyay, “First principles analysis on V3+ doped aluminum nitride” Computational Materials Science”, 49 (2010) 363-67. IF- 3.572
  2. Ranjit Thapa, B. Saha, U. N. Maiti, N.S. Das and K. K. Chattopadhyay, “Self filling of Ni nanoparticles in amorphous AlN nanotubes” Applied Surface Science, 256 (2010) 3988–3992. IF- 7.392
  3. A. Sen, U.N. Maiti, Ranjit Thapa and K. K. Chattopadhyay, “Effect of vanadium doping on the dielectric and nonlinear current-voltage characteristics of CaCu3Ti4O12 ceramic”, Journal of Alloys and Compounds, 506 (2010) 853-857. IF- 6.371
  4. U. N. Maiti, S. Maiti, Ranjit Thapa and K. K. Chattopadhyay, “Flexible cold cathode with ultralow threshold field designed through wet chemical route”, Nanotechnology, 21 (2010) 505701. IF -3.953
  5. N. S. Das, B.Saha, Ranjit Thapa, G. C. Das, K. K. Chattopadhyay, “Band gap widening of nanocrystalline nickel oxide thin films via phosphorus doping”,Physica E, 42 (2010) 1377–1382. IF- 3.382
  6. B. Saha, Ranjit Thapa, N. S. Das and K. K. Chattopadhyay, “Intentionally incorporated defect and its consequences in oxide thin film through Radio Frequency Magnetron Sputtering Technique”, Indian Journal of Physics, 84 (2010) 681-685. IF- 1.778</li>
  7. Ranjit Thapa, B. Saha, S. Goswami and K. K. Chattopadhyay, “Study of field emission and dielectric properties of AlN films prepared by DC sputtering technique at different substrate temperatures”, Indian Journal of Physics 84(10) (2010) 1343-1350. IF- 1.778
  8. B. Saha, Ranjit Thapa, S. Jana and K. K. Chattopadhyay”, Optical and Electrical Properties of P-type Transparent Conducting CuAlO2 Thin film Synthesized by Reactive Radio Frequency Magnetron Sputtering Technique”, Indian Journal of Physics 84(10) (2010) 1337-1342. IF- 1.778
  1. Ranjit Thapa, B. Saha and K. K. Chattopadhyay, “Enhanced field emission from Si doped nanocrystalline AlN thin films” Applied Surface Science, 255 (2009) 4536–4541. IF: 7.392
  2. Ranjit Thapa, B. Saha, K. K. Chatopadhyay, “Synthesis of cubic aluminum nitride by VLS technique using gold chloride as a catalyst and its optical and field emission properties”, Journal of Alloys and Compounds, 475 (2009) 373–377. IF- 6.371
  3. B. Saha, Ranjit Thapa, K. K. Chattopadhyay, “A novel route for the low temperature synthesis of p-type transparent semiconducting CuAlO2” Materials Letters, 63 (2009) 394–396. IF- 3.574
  1. S. Jana, Ranjit Thapa, R. Maity and K. K. Chattopadhyay, “Optical and dielectric properties of PVA capped nanocrystalline PbS thin films synthesized by chemical bath deposition” Physica E 40 (2008) 3121– 3126. IF- 3.382
  2. B. Saha, Ranjit Thapa, K. K. Chattopadhyay, “Wide range tuning of electrical conductivity of RF sputtered CdO thin films through oxygen partial pressure variation”, Solar Energy Materials and Solar Cells, 92 (2008) 1077– 1080. IF- 7.305
  3. B. Saha, Ranjit Thapa, K. K. Chattopadhyay, “Band gap widening in highly conducting CdO thin film by Ti incorporation through radio frequency magnetron sputtering technique”, Solid State Communications, 145 (2008) 33–37. IF- 1.934


  1. 1. B. Saha, Ranjit Thapa, K.K. Chattopadhyay, “Improvement of Electrical and Thermoelectric Properties of CdO Thin film by Aluminum Doping” 1 (2008) 423. Proceedings of International Workshop on the Physics of Semiconductor Devices (IWPSD).
  2. 2. C. K. Ghosh, Ranjit Thapa, Sk. F. Ahmed, S. Malkhandi and K. K. Chattopadhyay, “Optical properties of chemical bath deposited Cu doped CdS thin film grown on PET substrate for solar cell applications” 1 (2008) 284. Proceedings of The International Conference on Solar Cells (IC-SOLACE).
  3. 3. Ranjit Thapa, B. Saha, A. Sen and K.K. Chattopadhyay, “Field Emission of AlN Nanowires/ Ni Nanocomposite”, 1 (2009) 793. Proceedings of International Workshop on the Physics of Semiconductor Devices (IWPSD).
  4. 4. S. Jana, Ranjit Thapa and K.K. Chattopadhyay, “Fabrication of Fishbone Like Wide Band Gap PbS Microcrystals by Solvothermal Route, 1 (2009) 800. Proceedings of International Workshop on the Physics of Semiconductor Devices (IWPSD).
  5. 5. B. Saha, Ranjit Thapa, N. S. Das, K. K. Chattopadhyay, "Quantum Size Effect On The Optical Properties Of RF Magnetron Sputtered Nanocrystalline Cadmium Oxide Thin Films" International Journal of Nanoscience 10 (2011) 713-716.
  6. 6. N. S. Das, B.Saha, Ranjit Thapa, K. K. Chattopadhyay, “Spectroscopic ellipsometric studies on the optical properties of phosphorus doped nanocrystalline NiO thin films”, International Journal of Nanoscience, Vol. 10, Nos. 4 & 5 (2011) 985-988.
  7. 7. First principle identification of SiC monolayer as an efficient catalyst for CO oxidation S. Sinthika, C. Prakash Reddy, Ranjit Thapa, AIP Conference Proceedings, 1665 (2015) 080035.
  8. 8. Hydrogen spillover on DV (555-777) graphene – vanadium cluster system: First principles study E. Mathan Kumar, Sabarikirishwaran P, Ranjit Thapa, AIP Conference Proceedings, 1665 (2015) 080036.

Symposia, Seminars and Workshop

  • 1. Invited Speaker at the New Approaches and Machine learning Methods for Ab initio calculations: NAMMA Psi-k Workshop, held in (JNCASR & IISc) Bangalore, India, during 24-28 July 2023
  • 2. Visiting Researcher for two weeks at UNIST, POSTECH, Myongji University, South Korea Host: Prof. Noejung Park. 30 May-11 June 2023.
  • 3. Invited Speaker SCS Annual Conference, IACS, January 5-7, 2023, Indian Association for the Cultivation of Sciences, Kolkata, India.
  • 4. Invited Speaker, School on "Computational Modeling and Simulations of Materials for Energy and Environment" during December 12-14, 2022 at JNCASR, Bangalore, India.
  • 5. Invited Speaker, International Conference on “Designing Catalysts on Computers” (DCC22), IACS Kolkata on December 02-03, 2022.
  • 6. Invited Speaker, 5th National Conference on Electronic Structure (NCES 2022)” in collaboration with TIFR Mumbai, SNBNCBS, Kolkata and IOP Bhubaneswar. Hosted by Goa University, 14th to 16th Nov 2022.
  • 7. Invited Speaker and Chair for Symposium on “Green energy” under 88th Annual Meeting of Indian Academy of Sciences, Bangalore, Venue: SRM University-AP as convener. Date 4th Nov 2022
  • 8. Invited Speaker, 25th International Annual Symposium on Computational Science and Engineering, ANSCSE2, 8-10 June, 2022, Khon Kaen University, Thailand. Hybrid Mode
  • 9. Invited Speaker, Recent Advances and Innovations in Solar Energy (RAiSE), 02-04, December 2021, First-Principle’s guide and prediction of anode for Li ion Batteries and cathode host for Sulfur Batteries. Organized by DST Solar Energy Harnessing Center (DSEHC), Indian Institute of Technology Madras and MRSI-Chennai Chapter
  • 10. Invited Speaker and Co-Chair, Asian Meetings on Ferroelectrics (AMF) and AMEC (The Asian Meeting on Electroceramics) AMF-AMEC 2021, Online mode, Title: Energy and Electronic Descriptors of Carbon-based Catalyst Towards OER using Quantum Mechanics/Machine Learning Approach, 8th July 2021, Thailand,
  • 11. Invited Speaker, International Workshop and Conference on Evolution of Electronic Structure Theory and Experimental Realization (EESTER 2020), 14th-18th December 2020 in webinar mode. Organizers: SRMIST KTR (India), IIT Madras (India) and Uppsala University
  • 12. Invited Speaker, Webinar Series on Materials Simulation: A Virtual Guided Tour May 21-31, 2020, Organizers: IIT Delhi, IIT Bombay, IIT Indore and IIT Kharagpur
  • 13. Invited Speaker, Asian Consortium on Computational Materials Science – International Conference on Material Genome, 5-7 Feb 2020, Organizer: SRM University AP, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR).
  • 14. Invited Speaker, National Conference on Electronic Structure (NCES 2018), during 27-29 Nov 2019 jointly organized by SNBNCBS, TIFR, SINP, IOP.
  • 15. Invited Speaker, “Advances in Electron Spectroscopy - Experiment and Theory", organized by the Max Planck Institute for Chemical Physics of Solids, Dresden, 14 to 17th April 2019.
  • 16. Invited Speaker, International conference on Frontiers in Materials from Basic Science to Real time Applications, Jain University, Bangalore, 13-16th March 2019.
  • 17. Invited Speaker, winter school, "Modeling and Simulations of Materials for Energy and Environment" Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore, 12-14th Dec 2018.
  • 18. Invited Speaker, National Conference on Electronic Structure (NCES 2018), during 17-19 Dec 2018 jointly organized by SRMIST, TIFR, SINP, IOP.
  • 19. Invited Speaker, International workshop on "Evolution of Electronic Structure Theory & Experimental Realization (EESTER-2018)" at SRM Institute of Science and Technology and Indian Institute of Technology, Madras, during 11-15th Sep 2018 (Jointly organized by SRMIST, IITM, MRSI).
  • 20. Attended 84th Annual Meeting of the Indian Academy of Sciences, held at BHU from 2nd to 4th November 2018, hosted by the BHU, India
  • 21. Invited Speaker, National Conference on Electronic Structure (NCES 2017)” at IISER Bhopal, 27-29 December 2017.
  • 22. Invited Speaker, Asian Consortium on Computational Materials Science 09 Date: 9-11 August 2017 Venue: Kuala Lumpur.
  • 23. Visiting Scientist for two weeks at Flinders University, Australia, Host: Prof. Gunther Andersson. 10-23 April 2017.
  • 24. Invited Talk, International Conference of Young Researchers on Advanced Materials, IUMRS - ICYRAM 2016 - Indian Institute of Science, Bangalore", 11-15 Dec 2016, Indiaz.
  • 25. Attended 82nd Annual Meeting of the Indian Academy of Sciences, held at Bhopal from 4 to 6 November 2016, hosted by the Indian Institute of Science Education & Research, Bhopal, India
  • 26. Oral Presentation, XXVII IUPAP Conference on Computational Physics, CCP2015, Indian Institute of Technology Guwahati, 2nd -5th Dec. 2015.
  • 27. Invited Talk, 10th General Meeting of Asian Consortium on Computational Materials Science (ACCMS-VO10)", Nov 2015, Sendai, Japan.
  • 28. Oral Presentation, 9th General Meeting of Asian Consortium on Computational Materials Science (ACCMS-VO9)", Dec 2014, Okinawa, Japan.
  • 29. Invited Talk, Symposium on Multiscale Modeling of Materials and Devices (MMMD) - 2014, Bhabha Atomic Research Centre (BARC), Mumbai, India.

Conferences conducted

  • Hosted 88th Annual Meeting of Indian Academy of Sciences,Bangalore, Host: SRM University-AP as convener. Date 4-6 Nov 2022
  • Organized Symposium on “Green energy” under 88th Annual Meeting of Indian Academy of Sciences, Bangalore, Venue: SRM University-AP as convener. Date 4th Nov 2022
  • Organized as convener, 2nd International Conference on Materials Genome (ICMG-II), ACCMS Theme Meeting – Online Mode, 24-25 March 2022, SRM University – AP, Mangalagiri-522240, Andhra Pradesh, India, Website:
  • Organized Many Webinars during COVID-19 pandemic:
    1. University Distinguished Lecture Series, SRM University -AP, Till date 13 UDL is conducted successfully
    2. Resurgence of Indian Industries and R&D in a post COV-10 Scenario, May 15, 2020
    3. Post COVID-19 Science and Technology, May 29, 2020
    4. Eminent Guest Lecture Series: An Odyssey of Physics, Department of Physics as Head of the Department
    5. Research Day 2020, 2021, SRM University - AP
  • Organized ACCMS: International Conference on Materials Genome at SRM University-AP on 5-7 February 2020 in association with ACCMS, JNCASR and IMSc.Role: Convener,
  • Organized National Conference on Electronic Structure (NCES 2018), during 17-19 Dec 2018, jointly organized by SRMIST, TIFR, SINP, IOP. Role:Convener,Website:
  • Organized International workshop on "Evolution of Electronic Structure Theory & Experimental Realization (EESTER-2018)" at SRM Institute of Science and Technology during 11-15th Sep 2018 (Jointly organized by SRMIST, IITM, MRSI). Role: Convener, Website:
  • Short Course on "Computational Materials Science", 3rd to 7th July 2017, SRM University, Kattankulathur, Tamil Nadu, India. Expert: Prof. Y. Kawazoe, Prof. G. P. Das and Dr. Ranjit Thapa
  • Organized Asian Consortium on Computational Materials Science (ACCMS) Theme Meeting on First Principles Analysis & Experiment: Role in Energy Research, on 22-24 September 2016.Role: Convener, Website:
  • Organized one day university workshop on “HPCC” 21st Dec. 2013 at SRM University, Kattankulathur. (Co-ordinator)
  • Organized a week workshop on “Sustainable Energy Conversion & Storage Devices” during 2-8th Sept. 2013 at SRM University jointly with NCCR (IIT Madras), Kattankulathur. (Co-ordinator)

Contact Details

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