Influence of noble metals on the electronic and optical properties of LiH hydride: first-principles calculations
E Yu, Y Pan - International Journal of Hydrogen Energy, 2021 - Elsevier
Lithium hydride (LiH) has attracted attention because of its high density hydrogen storage
energy. However, the poor dehydrogenation properties cannot be used as an effective …
energy. However, the poor dehydrogenation properties cannot be used as an effective …
Density functional study on the mechanics, thermodynamics, and H diffusion mechanism of LiH
Y Gao, H Chen, M Shuai, X Zeng, S Zhao - International Journal of …, 2024 - Elsevier
LiH is valued by researchers and engineers for its high-temperature resistance, high
strength, high hydrogen storage capacity of up to 12.6 wt%, and high neutron absorption …
strength, high hydrogen storage capacity of up to 12.6 wt%, and high neutron absorption …
Insulator-to-Superconductor Transition in Quasi-One-Dimensional HfS3 under Pressure
Various transition-metal trichalcogenides (TMTC) show unique electronic properties, such
as metal–insulator transition, topological insulator, and even superconducting transition …
as metal–insulator transition, topological insulator, and even superconducting transition …
Pressure mediated phase transition and dihydrogen bonding formation in trimethylamine borane
R Guan, J Liu, A Kutty, Z Yu, Y Ji, Y Li… - Journal of Materials …, 2024 - pubs.rsc.org
Trimethylamine borane (TMAB,(CH3) 3N· BH3) is widely used as a reliable precursor in
various chemical syntheses and has a theoretical hydrogen content of 16.6 wt%, making it a …
various chemical syntheses and has a theoretical hydrogen content of 16.6 wt%, making it a …
Metallization and superconductivity of NBH 12 compounds stabilized by dihydrogen bonds
As the most promising hydrogen storage material, ammonia borane (NH3BH3, AB) has
been the subject of study in a variety of scientific fields. Here, we predict for the first time that …
been the subject of study in a variety of scientific fields. Here, we predict for the first time that …
Pressure-Induced Evolution of Crystal and Electronic Structure of Ammonia Borane
Ammonia borane (NH3BH3) has long attracted considerable interest for its high hydrogen
content and easy dehydrogenation conditions which make it a promising hydrogen storage …
content and easy dehydrogenation conditions which make it a promising hydrogen storage …
[HTML][HTML] High-pressure study of hydrogen storage material ethylenediamine bisborane from first-principle calculations
W Wang, Q Liu, Z Liu - Journal of Materials Research and Technology, 2022 - Elsevier
Ethylenediamine bisborane (EDAB), as a hydrogen storage material, is one of the most
promising possible candidates. This work reports the effects of pressure on the structural …
promising possible candidates. This work reports the effects of pressure on the structural …