Prof. Ranjit Thapa

Department of Physics


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



University of North Bengal


University of North Bengal


Jadavpur University
Ph. D.


  • 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.
  • 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


  • 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: 7.082
  • 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, Accepted 2018, Nanoscale,#Same contributed first author IF-7.367
  • 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, Nanotechnology29 (2018) 345203. *Corresponding Author IF-3.404
  • 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 MoS2Physical Review B, 98, 2018, 014109 (2018) IF-3.813
  • Arun Bera, Krishna Deb, S Sinthika, Ranjit Thapaand Biswajit Saha, Chemical modulation of valance band in delafossite structured CuFeO2 thin film and its photoresponse, Mater. Res. Express5 (2018) 015909. IF-1.151
  • 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-3.771
  • S. Sinthika, U. V. Waghmare* and Ranjit Thapa*, First-principles identification of structural and electronic descriptors for graphene based catalysts, Small, 14, 1703609, 2018, *Corresponding Author IF-9.598
  • 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 sp2hybridized carbon structure, Carbon, 129, 775 2018, *Corresponding Author IF-7.082
  • 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-13.12
  • 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-4.122
  • A Bera, K Deb, T Bera, S Sinthika, Ranjit Thapa, B Saha, Effect of Mg substitution in delafossite structured CuFeO2thin film deposited on FTO coated glass substrate and its diode characteristics,Thin Solid Films, 642, 2017, 316-323. IF-1.939
  • 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" Puspendu Guha,  Nanotechnology, accepted, 2017. IF-3.404
  • 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-1.686
  • S. Nandhini, A. Rajkamal, Biswajit Saha and Ranjit Thapa*, First-Principles Identification of Site Dependent Activity of Graphene based Catalyst, Molecular Catalysis, 432, 2017, 242 249*Corresponding Author IF-4.397
  • 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-3.495
  • 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-4.439
  • 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-4.439
  • 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-4.439
  • 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-4.439
  • 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 initiostudy”, Scientific Reports, 6, 37822 2016*Corresponding Author IF-4.259
  • 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-7.367
  • 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-8.097
  • 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-3.44
  • 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-4.229
  • 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-1.798
  • 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-1.806
  • 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-1.798
  • 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-8.097
  • 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- 4.122
  • 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-2.936
  • 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 NiCo2O4nanosheet arrays, Material Research Express, 2 (2015) 095011. IF-1.151
  • 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 Advance, 5 (2015) 087163.*Corresponding Author IF-1.653
  • 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 Advance, 5 (2015) 41887. IF-2.936
  • 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- 2.058
  • 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-13.325
  • S. Ratha, R. Khare, M. A. More,Ranjit Thapa, D. J. Late, C. S. Rout, "Field Emission properties of spinel ZnCo2O4 Microflowers", RSC Advance, 5 (2015) 5372-5378. IF-3.779
  • 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-9.931
  • 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: 3.779
  • 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-1.2
  • 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-3.779
  • 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-3.495
  • Dongbin Shin, S. Sinthika, Min Choi, Ranjit Thapa,* Noejung Park,* "Ab initiostudy 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-11.384
  • 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-4.099
  • SSinthika, 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 AuthorIF- 9.931
  • 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-2.947
  • 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" Nanoscale6(2014) 3384-3391. IF-7.233
  • 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-4.439
  • 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-12.353
  • 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 Energy38 (2013) 3041. IF-4.229
  • 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-8.709
  • Ranjit Thapa, S. Maiti, T. H. Rana, U. N. Maiti and K. K. Chattopadhyay, “TiO2Nanoparticles synthesis via simple hydrothermal route: Degradation of Orange II, Methyl Orange and Rhodamine B”, Journal of Molecular Catalysis A: Chemical363-364 (2012) 223-229. IF-4.211
  • A Jha, Ranjit Thapaand K. K. Chattopadhyay, “Structural transformation from Mn3O4 nanorods to nanoparticles and band gap tuning via Zn doping”, Materials Research Bulletin47 (2012) 813-819. IF-2.874
  • 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 Science56 (2012) 165-171. IF-2.53
  • A. Sen, U.N. Maiti, Ranjit Thapaand 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-1.604
  • 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-1.386
  • Ranjit Thapa, B. Saha and K. K. Chattopadhyay, “First principles analysis on V3+doped aluminum nitride” Computational Materials Science”, 49 (2010) 363-67. IF-2.53
  • 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 Science256 (2010) 3988–3992. IF-4.439
  • A. Sen, U.N. Maiti, Ranjit Thapaand 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-3.779
  • U. N. Maiti, S. Maiti, Ranjit Thapaand K. K. Chattopadhyay, “Flexible cold cathode with ultralow threshold field designed through wet chemical route”, Nanotechnology, 21 (2010) 505701. IF-3.404
  • 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-2.399
  • 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-0.967
  • 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 Physics84(10) (2010) 1343-1350. IF-0.967
  • 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-0.967
  • 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: 4.439
  • 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-3.779
  • 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-2.687
  • 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-2.399
  • 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-5.018
  • 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-1.549

Contact Details

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