High Performance Computing Center

Computational Science and Engineering

Acknowledgment: Authors thank High Performance Computing Center, SRM Institute of Science and Technology for providing the computational facility



 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., IF: 3.495

 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. IF: 11.384

 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. IF: 4.099

 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. IF: 9.931

 5.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

 6.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 Heterogeneous Photoluminescence" Nanoscale, 6, 2014, 3384-3391. IF: 7.233