23 citations · 26 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2019
Dynamics of Li-ion in V2O5 Layers from First-Principles Calculations
Baltej Singh, M. K. Gupta, R. Mittal +1
The alkali atoms, due to their small sizes and low charge ionic states, are most eligible to intercalate in the structural layers of V2O5. We have applied ab-initio density functio…
cond-mat.mtrl-sci2019★ 23 cited
Lithium Diffusion in Li2X(X=O, S and Se): Ab-initio Simulations and Neutron Inelastic Scattering Measurements
M. K. Gupta, Baltej Singh, Prabhatasree Goel +3
We have performed ab-initio lattice dynamics and molecular dynamics studies of Li2X (X=O, S and Se) to understand the ionic conduction in these compounds. The inelastic neutron sca…
cond-mat.mtrl-sci2019★ 3 cited
Phonons and Anisotropic Thermal Expansion Behaviour of NiX (X = S, Se, Te)
Prabhatasree Goel, M. K. Gupta, S. K. Mishra +5
Metal Chalcogenides have been known for important technological applications and have attracted continuous interest in their structure, electronic, thermal and transport properties…