Selected Publications
1

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: 8.643.

2

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, 775 2018, *Corresponding Author IF: 6.337.

3

S.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: 12.343

4

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: 4.259.

5

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. 2015. *Corresponding Author IF: 4.259.

6

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: 7.504.

7

EE. 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: 8.867.

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”, Advance Functional Materials, 25 (2015) 947–956.IF: 12.124. *Corresponding Author

9

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. *Corresponding Author, IF: 10.614

10

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, 12812 – 12820, 2014. *Corresponding Author, IF: 8.867