Screening based approach and dehydrogenation kinetics for MgH(2): Guide to find suitable dopant using first-principles approach

Por Kumar, E. Mathan, Rajkamal, A., Thapa, Ranjit
Publicado no Sci Rep (2017)

Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study

Por Rajkamal, A., Kumar, E. Mathan, Kathirvel, V., Park, Noejung, Thapa, Ranjit
Publicado no Sci Rep (2016)

Activation of CO and CO(2) on homonuclear boron bonds of fullerene-like BN cages: first principles study

Por Sinthika, S., Kumar, E. Mathan, Surya, V. J., Kawazoe, Y., Park, Noejung, Iyakutti, K., Thapa, Ranjit
Publicado no Sci Rep (2015)