Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: the role of dopant and water in activity and catalytic de-poisoning S Sinthika, EM Kumar, R Thapa Journal of Materials Chemistry A 2 (32), 12812-12820, 2014 | 75 | 2014 |
Structural and electronic descriptors of catalytic activity of graphene‐based materials: first‐principles theoretical analysis S Sinthika, UV Waghmare, R Thapa Small 14 (10), 1703609, 2018 | 74 | 2018 |
CO oxidation prefers the Eley–Rideal or Langmuir–Hinshelwood pathway: monolayer vs thin film of SiC S Sinthika, ST Vala, Y Kawazoe, R Thapa ACS applied materials & interfaces 8 (8), 5290-5299, 2016 | 49 | 2016 |
First principles guide to tune h-BN nanostructures as superior light-element-based hydrogen storage materials: role of the bond exchange spillover mechanism EM Kumar, S Sinthika, R Thapa Journal of Materials Chemistry A 3 (1), 304-313, 2015 | 47 | 2015 |
Ab Initio Study of Thin Oxide–Metal Overlayers as an Inverse Catalytic System for Dioxygen Reduction and Enhanced CO Tolerance D Shin, S Sinthika, M Choi, R Thapa, N Park ACS Catalysis 4 (11), 4074-4080, 2014 | 45 | 2014 |
Activation of CO and CO2 on homonuclear boron bonds of fullerene-like BN cages: first principles study S Sinthika, EM Kumar, VJ Surya, Y Kawazoe, N Park, K Iyakutti, R Thapa Scientific reports 5 (1), 17460, 2015 | 39 | 2015 |
DFT study of NH3 adsorption on 2D monolayer MXenes (M2C, M= Cr, Fe) via oxygen functionalization: Suitable materials for gas sensors AA Banu, S Sinthika, S Premkumar, J Vigneshwaran, SZ Karazhanov, ... FlatChem 31, 100329, 2022 | 24 | 2022 |
Ring type and π electron occupancy decides the Li-ion storage properties of Phagraphene: An example of sp2 hybridized carbon structure A Rajkamal, S Sinthika, G Andersson, R Thapa Carbon 129, 775-784, 2018 | 24 | 2018 |
Effect of Mg substitution in delafossite structured CuFeO2 thin film deposited on FTO coated glass substrate and its diode characteristics A Bera, K Deb, T Bera, S Sinthika, R Thapa, B Saha Thin Solid Films 642, 316-323, 2017 | 21 | 2017 |
Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene S Sinthika, R Thapa RSC advances 5 (113), 93215-93225, 2015 | 20 | 2015 |
Chemical modulation of valance band in delafossite structured CuFeO2 thin film and its photoresponse A Bera, K Deb, S Sinthika, R Thapa, B Saha Materials Research Express 5 (1), 015909, 2018 | 16 | 2018 |
CO oxidation on Pt based binary and ternary alloy nanocatalysts: Reaction pathways and electronic descriptor A Tripathi, C Hareesh, S Sinthika, G Andersson, R Thapa Applied Surface Science 528, 146964, 2020 | 14 | 2020 |
Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study R Thapa, S Ghosh, S Sinthika, EM Kumar, N Park Journal of Alloys and Compounds 620, 156-163, 2015 | 12 | 2015 |
Understanding the role of lithium bonds in doped graphene nanoribbons as cathode hosts for Li‐S batteries: A first‐principles study. DS Gavali, R Thapa International Journal of Energy Research 46 (4), 2022 | 7 | 2022 |
Colossal magnetoresistance in amino-functionalized graphene quantum dots at room temperature: manifestation of weak anti-localization and doorway to spintronics R Roy, R Thapa, GS Kumar, N Mazumder, D Sen, S Sinthika, NS Das, ... Nanoscale 8 (15), 8245-8254, 2016 | 6 | 2016 |
First principle identification of SiC monolayer as an efficient catalyst for CO oxidation S Sinthika, CP Reddy, R Thapa AIP Conference Proceedings 1665 (1), 2015 | 2 | 2015 |
Dioxygen reduction in the energy conversion devices and co oxidation using metal-free catalysts: first-principles study S Sinthika Kattankulathur, 0 | | |
Absorbance (au) R Roy, R Thapa, GS Kumar, N Mazumder, D Sen, S Sinthika, NS Das, ... | | |