Efficient hydrogen storage in LiMgF3: a first principle study
The utilization of hydrogen energy as a sustainable and renewable energy carrier has
sparked considerable interest, but effective storage remains a challenge. To address this …
sparked considerable interest, but effective storage remains a challenge. To address this …
First-principles investigation for the hydrogen storage properties of AeSiH3 (Ae= Li, K, Na, Mg) perovskite-type hydrides
A Mera, MA Rehman - International Journal of Hydrogen Energy, 2024 - Elsevier
The present study investigates the physical properties of AeSiH 3 (Ae= Li, K, Na, Mg)
hydrides perovskites with their hydrogen storage capability. All the materials are thermally …
hydrides perovskites with their hydrogen storage capability. All the materials are thermally …
[HTML][HTML] First-principles investigations for the hydrogen storage properties of XVH3 (X= Na, K, Rb, Cs) perovskite type hydrides
N Xu, Y Chen, S Chen, W Zhang, S Li, R Song… - Journal of Materials …, 2023 - Elsevier
The structural, mechanical, electronic, kinetic, thermodynamic, optical and hydrogen storage
properties of new perovskite hydrides XVH 3 (X= Na, K, Rb, Cs) were investigated using …
properties of new perovskite hydrides XVH 3 (X= Na, K, Rb, Cs) were investigated using …
First-principles to explore the hydrogen storage properties of XPtH3 (X= Li, Na, K, Rb) perovskite type hydrides
R Song, Y Chen, S Chen, N Xu, W Zhang - International Journal of …, 2024 - Elsevier
Based on the first-principles, the hydrogen storage, mechanical, electronic, optical,
thermodynamic and kinetic properties of XPtH 3 (X= Li, Na, K, Rb) perovskites are …
thermodynamic and kinetic properties of XPtH 3 (X= Li, Na, K, Rb) perovskites are …
Efficient hydrogen storage in KCaF3 using GGA and HSE approach
Being a renewable and sustainable energy carrier, hydrogen energy has garnered great
interest having some technical barriers related to storage aspects. Hydride materials exhibit …
interest having some technical barriers related to storage aspects. Hydride materials exhibit …
Ab initio insight into the physical properties of MgXH3 (X = Co, Cu, Ni) lead-free perovskite for hydrogen storage application
Renewable energy systems are vital for a sustainable future, where solid-state hydrogen
storage can play a crucial role. Perovskite hydride materials have attracted the scientific …
storage can play a crucial role. Perovskite hydride materials have attracted the scientific …
Computational screening of BeXH3 (X: Al, Ga, and In) for optoelectronics and hydrogen storage applications
W Khan - Materials Science in Semiconductor Processing, 2024 - Elsevier
New perovskite-type hydrides were first time investigated under consideration of different
physical properties for the optoelectronics and hydrogen storage applications by using the …
physical properties for the optoelectronics and hydrogen storage applications by using the …
Investigation of structural, electronic and lattice dynamical properties of XNiH3 (X= Li, Na and K) perovskite type hydrides and their hydrogen storage applications
Abstract XNiH 3 (X= Li, Na, and K) perovskite type hydrides have been studied by using
Density Functional Theory (DFT) and these materials are found to be stable and …
Density Functional Theory (DFT) and these materials are found to be stable and …
Computational assessment of MgXH3 (X= Al, Sc and Zr) hydrides materials for hydrogen storage applications
This manuscript reports the computational study of three new perovskite-type hydrides for
solid-state hydrogen storage technology. Herein, Density Functional Theory (DFT) has been …
solid-state hydrogen storage technology. Herein, Density Functional Theory (DFT) has been …
Effective hydrogen storage in Na2 (Be/Mg) H4 hydrides: Perspective from density functional theory
The utilization of hydrogen energy has garnered significant attention as a viable and
environmentally friendly energy alternative. However, there exist some technological …
environmentally friendly energy alternative. However, there exist some technological …