Hydrogen storage on superalkali NLi4 decorated β12-borophene: A first principles insights
Y Zhang, P Liu - International Journal of Hydrogen Energy, 2022 - Elsevier
The hydrogen storage properties of superalkali NLi 4 decorated β 12-borophene have been
comprehensively investigated based on first-principles density functional calculations (DFT) …
comprehensively investigated based on first-principles density functional calculations (DFT) …
DFT insights into Cu-driven tuning of chemisorption and physisorption in the hydrogen storage by SnC monolayers
Abstract A Density-Functional-Theory investigation about the effect of decorating a
hexagonal SnC monolayer with Cu on the H 2 storage was performed. The feasibility for …
hexagonal SnC monolayer with Cu on the H 2 storage was performed. The feasibility for …
Influence of point defects on the hydrogen storage in nickel decorated GeC and SnC nanotubes'
The density functional theory (DFT) calculations were performed to investigate the
structures, electronic properties, and hydrogen-storage capacity of Ni-decorated GeCNT and …
structures, electronic properties, and hydrogen-storage capacity of Ni-decorated GeCNT and …
The magnetism of two-dimensional non-magnetic borides Mo2B2 induced by do** and adsorption
H Zhang, D Wu, Y Liao, J ** in GeC gas sensors on gas response performance: the first principles study
D **ao, L Zhang - Chemical Physics Letters, 2024 - Elsevier
In this paper, the stability, electronic structure and optical properties of monolayer GeC, B, N
and P doped GeC systems are systematically investigated based on the first principles of …
and P doped GeC systems are systematically investigated based on the first principles of …
Comparative study of hydrogen storage on nickel and palladium decorated metal carbide nanotubes: A DFT approach
The density functional theory simulations analyzed the structural, electronic properties, and
hydrogen storage capacities of functionalized Ni and Pd on SiC, GeC, and SnC nanotubes …
hydrogen storage capacities of functionalized Ni and Pd on SiC, GeC, and SnC nanotubes …