Selected Publications

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, Accepted, 2016. *Corresponding Author IF: 5.228.


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 Contribution IF: 7.76


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: 6.723


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: 6.723


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: 5.5


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: 3.854


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, 304-313, 2015. *Corresponding Author, IF: 7.443


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, 4074–4080, 2014.IF: 9.312, *Corresponding Author


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, 12812 – 12820, 2014. IF: 7.443, *Corresponding Author


Ruiguo Cao, Ranjit Thapa, Hyejung Kim, XiaodongXu, 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, Article No. 2076, 2013. IF: 11.47