Professor and Head

Prof Ranjit Thapa 

Department of Physics

Interests

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

Faculty Details

Professor

The research works of Prof. Ranjit Thapa are primarily focused on first-principles investigation of materials for energy and environment. The important contributions are “Exchange mechanism for spillover of hydrogen” and “dehydrogenation of hydrogen”. The main contributions are: “Bond exchange spillover mechanism”, “electron doped 2D system as metal free catalyst”, “the origin of surface magnetism in graphene”, “Homonuclear boron bond at catalytic and active center”. Prof. Ranjit proposed Thin oxide overlayer (ex: MgO) on a metal surface, an inverse catalyst. The mystery behind the reactivity of doped defective graphene-based metal-free electrocatalysts is unveiled using density functional theory. The enhanced activity is linked to the π orbital occupation of active sites, the configuration of atomic oxygen (enolate and epoxy) on the graphene plane and to the localized π states in the case of defects. The π orbital occupation is identifying as “Descriptor” . Prof. Ranjit is currently interested in designing and developing of materials database for energy and environmental applications. He will use the method of machine learning using the DFT data from the developed database https://energymaterials.org/

Education

2002

University of North Bengal
India
Bachelors

2004

University of North Bengal
India
Masters

2011

Jadavpur University
India
Ph. D.

Experience

  • Nov 2019 – Till date, Professor and Head, Department of Physics, SRM University – AP, Andhra Pradesh, India
  • May 2019 – Till-date, Professor SRM University-AP, Andhra Pradesh, India
  • 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.
  • 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 MATERIALS 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.

Memberships

  • 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: 15th July 2013. Ph.D. date: 24th March 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: 03rd August 2017. Ph.D. Viva on 6th February 2018
  3. Dr. A. Rajkamal, Title: “Carbon Allotropes as Anode Materials for Lithium Ion Battery” Joining Date: Jan. 2014 (Co-Guide): Ph.D. Viva on 14th May 2018
  4. Ms. Vanshree Parey, Title: “First-Principles Identification of Gas Sensing Properties of Metal Free Materials” (Co-Guide). Thesis Submitted Date: 22nd September 2020
  5. Ms. Mullapudi Jyothirmai, Title: First-principles identification of quaternary chalcogenide based solar absorber materials. Thesis Submitted Date: 19th February 2021

Contribution to Institute’s Infrastructural Development

SRM-Supercomputer Center: Faculty In-charge (2014-2019), takes part from scratch to establish the facility at SRM IST.
https://www.srmist.edu.in/hpcc/

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.

Projects

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
(Completed)		 14.04
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
(Completed)		 1117
3 Mechanistic of CO Oxidation on Metal Free Catalyst and Property Package EMR-SERB August 2017-August 2020 (ongoing) 35.45
4 First principles identification of descriptor for carbon based catalyst Role- PI YSS-BRNS August 2018 – August 2021(ongoing) 28.15
5 Catalysts for CO2 Reduction to C2 Product: Descriptor to Database National Supercomputer Mission, DST-MeITy March 2021 – March 2023 (ongoing) 28.02

Publications

2021
  • 1) Unveiling the Genesis of the High Catalytic Activity in Nickel Phthalocyanine for Electrochemical Ammonia Synthesis, S. Murmu, S. Paul, S. Kapse, Ranjit Thapa, S. Chattopadhyay, Abharana N, S. N. Jha, D. Bhattacharyya and Uttam Kumar Ghorai, Journal of Materials Chemistry A,In Press, 2021. IF: 11.301
  • 2) One-pot solvothermal synthesis of Co2P nanoparticles: an efficient HER and OER electrocatalysts, B. Thangadurai Jebaslinhepzybai, T. Partheeban; Deepak S. Gavali, Ranjit Thapa, Manickam Sasidharan, International Journal of Hydrogen Energy, In Press,2021. IF: 4.939
  • 3) Enhanced energy storage performance and theoretical studies of 3D cuboidal Manganese diselenides embedded multiwalled carbon nanotubes composite, Rutuparna Samal, Mahima Bhat, Samadhan Kapse, Ranjit Thapa, Dattatray J Late, Chandra Sekhar Rout, Journal of Colloid & Interface Science, In Press, 2021. IF: 7.489
  • 4) 78. Editorial: Advanced Catalyst, Ranjit Thapa, Catalysis Today, Accepted 2021, IF: 5.825
  • 5) Nitrogen Vacancy and Hydrogen Substitution Mediated Tunable Optoelectronic Properties of g-C3N4 2D Layered Structures: Applications towards Blue LED to Broad-band Photodetection, 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, Applied Surface Science, 556, 2021, 149773. IF: 6.182
  • 6) 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, 2021, IF: 14.588
  • 7) Samadhan Kapsea, 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: 16.683
  • 8) 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, 2021, In Press *Corresponding Author IF: 5.825
  • 9) Anjana Tripathi and Ranjit Thapa*, Promoting reactivity of graphene-based catalysts to achieve LH mechanism for CO oxidation, Catalysis Today, 2021, In Press *Corresponding Author IF: 5.825
  • 10) 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, The Journal of Physical Chemistry C, 125, 2021, 3793–3803. IF: 4.189
  • 11) 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, 2021 *Corresponding Author IF: 5.825
  • 12) 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.
  • 13) 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: 6.182
  • 14) 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: 8.821
  • 15) Chandreswar Mahata; Siddhartha Ghosh; Sandipan Chakraborty; Laxmi Narayana Patro; Anjana Tripathi; Ranjit Thapa; Seeram Ramakrishna; Sungjun Kim; Goutam Kumar Dalapati, Charge Trapping Characteristics of Sputter-AlOx/ALD-Al2O3/Epitaxial-GaAs Based Nonvolatile Memory, Journal of Materials Science: Materials in Electronics, In Press, 2021. IF: 2.195
2020
  • 16) 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: 4.473
  • 17) 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: 8.247
  • 18) 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: 2.286
  • 19) 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: 6.182
  • 20) 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: 4.473
  • 21) 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: 8.247
  • 22) 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: 3.442]
  • 23) 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: 4.473
  • 24) 6. 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: 3.43
  • 25) 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: 2.286
  • 26) 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: 1.759
  • 27) 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: 3.408
2019
  • 28) 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: 3.998
  • 29) 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: 3.169
  • 30) Paramita Banerjee, RanjitThapa, 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: 4.939
  • 31) 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: 3.14
  • 32) 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: 2.286
  • 33) 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: 5.969
  • 34) 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: 8.821
2018
  • 35) 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- 6.895
  • 36) 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, Nanotechnology 29, 2018, 345203. *Corresponding Author IF- 3.551
  • 37) 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- 3.575
  • 38) Arun 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- 1.929
  • 39) 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-4.65
  • 40) 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-11.469
  • 41) 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-8.821
  • 42) 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-16.602
2017
  • 43) 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- 3.998
  • 44) 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- 1.888
  • 45) 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- 3.399
  • 46) 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- 2.029
  • 47) 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-3.687
  • 48) 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- 3.597
  • 49) 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- 6.182
  • 50) 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- 6.182
  • 51) 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- 6.182
  • 52) 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- 6.182
2016
  • 53) 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- 3.998
  • 54) 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- 6.895
  • 55) 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- 8.758
  • 56) 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- 3.551
  • 57) 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- 4.939
  • 58) 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, J Mater Sci: Mater Electron, 2016. IF- 2.22
  • 59) 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- 2.305
  • 60) 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- 2.22
2015
  • 61) 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- 8.758
  • 62) 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- 3.998
  • 63) 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- 3.119
  • 64) 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, Material Research Express, 2 (2015) 095011. IF- 1.929
  • 65) 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- 1.337
  • 66) 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- 3.119
  • 67) 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- 2.281
  • 68) 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”, Advance Functional Materials, 25 (2015) 947–956. IF- 16.836
  • 69) 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- 3.119
  • 70) 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- 11.301
  • 71) 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: 4.65
  • 72) 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- 1.354
  • 73) 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- 4.65
2014
  • 74) 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- 3.597
  • 75) 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- 12.35
  • 76) 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- 4.174
  • 77) 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- 11.301
  • 78) 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", Chem Phys Chem, 15 (2014) 2542-2559. IF- 3.144
  • 79) 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- 6.895
2013
  • 80) 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- 6.182
  • 81) 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- 11.878
  • 82) 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- 4.939
2012
  • 83) 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- 6.71
  • 84) 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- 5.008
  • 85) 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- 4.019
  • 86) 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- 2.863
2011
  • 87) 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- 1.81
  • 88) 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- 1.902
2010
  • 89) Ranjit Thapa, B. Saha and K. K. Chattopadhyay, “First principles analysis on V3+ doped aluminum nitride” Computational Materials Science”, 49 (2010) 363-67. IF- 2.863
  • 90) 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- 6.182
  • 91) 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- 4.65
  • 92) 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- 3.551
  • 93) 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- 3.57
  • 94) 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- 1.407
  • 95) 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- 1.407
  • 96) 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- 1.407
2009
  • 97) 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: 6.182
  • 98) 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- 4.65
  • 99) 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- 3.2
2008
  • 100) 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- 3.57
  • 101) 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- 6.984
  • 102) 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- 1.521

Proceedings

  • 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. 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. 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. 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. 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. 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. 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. 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, International Workshop and Conference onEvolution 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
  • 2. 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.
  • 3. 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).
  • 4. Invited Speaker, National Conference on Electronic Structure (NCES 2018), during 27-29 Nov 2019 jointly organized by SNBNCBS, TIFR, SINP, IOP.
  • 5. 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.
  • 6. Invited Speaker, International conference on Frontiers in Materials from Basic Science to Real time Applications, Jain University, Bangalore, 13-16th March 2019.
  • 7. 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.
  • 8. Invited Speaker, National Conference on Electronic Structure (NCES 2018), during 17-19 Dec 2018 jointly organized by SRMIST, TIFR, SINP, IOP.
  • 9. 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).
  • 10. Attended 84th Annual Meeting of the Indian Academy of Sciences, held at BHU from 2nd to 4th November 2018, hosted by the BHU, India
  • 11. Invited Speaker, National Conference on Electronic Structure (NCES 2017)” at IISER Bhopal, 27-29 December 2017.
  • 12. Invited Speaker, Asian Consortium on Computational Materials Science 09 Date: 9-11 August 2017 Venue: Kuala Lumpur.
  • 13. 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
  • 14. Visiting Scientist for two weeks at Flinders University, Australia, Host: Prof. Gunther Andersson. 10-23 April 2017.
  • 15. Invited Talk, International Conference of Young Researchers on Advanced Materials, IUMRS - ICYRAM 2016 - Indian Institute of Science, Bangalore", 11-15 Dec 2016, India.
  • 16. 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
  • 17. 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
    Selected peer reviewed articles presented in the conference will be published in the special issue, "ACCMS TM Energy Research" of Applied Surface Science. Impact Factor: 4.439 as of 2018, supported by Elsevier.
    Role: Managing Guest Editor
  • 18. Oral Presentation, XXVII IUPAP Conference on Computational Physics, CCP2015, Indian Institute of Technology Guwahati, 2nd -5th Dec. 2015.
  • 19. Invited Talk, 10th General Meeting of Asian Consortium on Computational Materials Science (ACCMS-VO10)", Nov 2015, Sendai, Japan.
  • 20. Oral Presentation, 9th General Meeting of Asian Consortium on Computational Materials Science (ACCMS-VO9)", Dec 2014, Okinawa, Japan.
  • 21. Organized one day university workshop on “HPCC” 21st Dec. 2013 at SRM University, Kattankulathur. (Co-Ordinator)
  • 22. Invited Talk, Symposium on Multiscale Modeling of Materials and Devices (MMMD) - 2014, Bhabha Atomic Research Centre (BARC), Mumbai, India.
  • 23. 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)

Conferences conducted

  • 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, https://srmap.edu.in/accms-2020/
  • Organized National Conference on Electronic Structure (NCES 2018), during 17-19 Dec 2018 jointly organized by SRMIST, TIFR, SINP, IOP. Role: Convener, Website: https://www.srmist.edu.in/nces-2018/
  • 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: http://www.srmuniv.ac.in/eester-2018/
  • 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: http://mysrm.srmuniv.ac.in/accms/
  • 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

  • E-mail id: ranjit.t@srmap.edu.in
  • Mobile No.: 9176296112
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