Inelastic Compton scattering: Tool to validate quantum mechanical potential energies

BL Ahuja, PK Joshi - Nuclear and Particle Physics Proceedings, 2023 - Elsevier
Inelastic γ-ray scattering (Compton scattering) is a distinguished tool to explore the
electronic and magnetic response of various substances and is also an emphatic technique …

Validation of hybrid WC1LYP functional for ferroelectric LiNbO3 and LiTaO3 using Compton spectroscopy and first-principles computations

PK Joshi, K Kumar, D Mali, G Arora, L Meena… - Materials Today …, 2022 - Elsevier
Electronic structure and theoretical momentum densities (EMDs) of LiNbO 3 and LiTaO 3
using linear combination of atomic orbitals (LCAO) scheme are deduced. Present energy …

Compton spectroscopy of hydrogen storage material LiAlH4: Experiment and DFT strategies

M Rani, K Kumar, S Kumawat, A Soni… - Materials Today …, 2023 - Elsevier
Electronic structure and momentum densities of three possible phases (α, β and γ) of
hydrogen storage material, LiAlH 4, are reported using the linear combination of atomic …

DFT study of efficient hydrogen storage on B12@ Ca14 cage

YS Chen, JJ Guo, PB Liu, HY Zhao, J Wang… - Physica Scripta, 2023 - iopscience.iop.org
Hydrogen, as a zero-carbon energy carrier, has attracted considerable attention of scientific
community. Therefore, the development of hydrogen storage materials has always been a …

Hydrogen storage kinetics and thermodynamics of Mg‐based alloys by rare earth doping and Ni substitution

W Bu, Q Liu, W Peng, X Dai - Journal of Chemical Technology …, 2022 - Wiley Online Library
BACKGROUND The traditional means of hydrogen storage cannot meet the widespread
application of hydrogen energy. Therefore, developing new and efficient hydrogen storage …