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Number of Publications

10 Number of Publications

CO catalytic oxidation on Pt-doped single wall boron nitride nanotube: first-principles investigations

www.elsevier.com/locate/susc 2016
Full Paper Abstract

Hydrogen storage reactions on titanium decorated carbon nanocones theoretical study

2016
Abstract

Effect of Surface Site on the Spin State for the Interaction of NO with Pd2, Rh2 and PdRh Nanoparticles Supported at Regular and Defective MgO(001) Surfaces

2016
Abstract

High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone: A First-Principles Study

2016
Abstract

Adsorption of He and Ne on regular, irregular and defected surfaces of LiH crystal: ab initio study

2016
Abstract

The effect of ruthenium on the performance of porphyrin dye and porphyrin–fullerene dyad solar cells predicted by DFT and TD-DFT calculations

2016
Abstract

Tuning hydrogen storage of carbon nanotubes by mechanical bending: theoretical study

2015
Abstract

Screening of Covalently Bonded Porphyrin-Fullerene Dyads for Use in Dye Sensitized Solar Cells

2014
Abstract

Interaction of O2 and N2 molecules with Au deposited on regular and defective CaO (001) surfaces: Density functional calculations

2013
Abstract

Ab initio characterization of Ti decorated SWCNT for hydrogen storage

2013
Abstract