Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications
UG Chuwkwu, H Louis, HO Edet, TO Unimuke… - Energy & …, 2023 - ACS Publications
While hydrogen combustion generates a lot of energy and can be done in a variety of ways,
the primary challenge in utilizing hydrogen energy is obtaining an efficient hydrogen storage …
the primary challenge in utilizing hydrogen energy is obtaining an efficient hydrogen storage …
[HTML][HTML] TM-doped Mg12O12 nano-cages for hydrogen storage applications: Theoretical study
Abstract DFT calculations at B3LYP/6–31 g (d, p) with the D3 version of Grimme's dispersion
are performed to investigate the application of TM-encapsulated Mg 12 O 12 nano-cages …
are performed to investigate the application of TM-encapsulated Mg 12 O 12 nano-cages …
Rotational States of Adsorbed H2 on Fe(OH)3 Molecule
SE Amer, AK Sallabi - Journal of the Physical Society of Japan, 2020 - journals.jps.jp
Dispersion-corrected density functional (DFT-D3) and Quantum perturbation theories are
used to calculate the potential energy surface (PES), rotational states and energy rotational …
used to calculate the potential energy surface (PES), rotational states and energy rotational …
Structure and stability of quantum H2 films on ionic surfaces: a theoretical study
A Sadeghifar - 2020 - open.library.ubc.ca
The process of H₂ adsorption on ionic surfaces has long been of importance
technologically as well as of interest to “pure” science because they constitute simple ideal …
technologically as well as of interest to “pure” science because they constitute simple ideal …