Theoretical prediction of perovskite ARH3 (A= K, Li, Rb; RCa, Sr) hydride materials for hydrogen storage applications: A DFT investigation
Y Song, MK Shahzad, S Hussain, A Farrukh… - International Journal of …, 2024 - Elsevier
Hydrogen (H 2) storage has attracted the greatest attention in the contemporary day
because of the shortage of fuel. The water splitting is considered less cost-effective and lead …
because of the shortage of fuel. The water splitting is considered less cost-effective and lead …
First-principles study of the hydrogen storage properties of hydride perovskites XCuH3 (X= K, Rb) for hydrogen storage applications
Y Du, N Xu, S Chen, Y Chen, R Song, W Luo… - International Journal of …, 2024 - Elsevier
In this paper, the structure, hydrogen storage capacity, mechanical, electronic, optical and
thermodynamic properties of hydride perovskites KCuH 3 and RbCuH 3 are systematically …
thermodynamic properties of hydride perovskites KCuH 3 and RbCuH 3 are systematically …
Computational insights of double perovskite X2CaCdH6 (X= Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis
Perovskite materials play a backbone role in materials science to investigate various
applications including photocatalytic, photovoltaic, and hydrogen storage. Hydrogen storage …
applications including photocatalytic, photovoltaic, and hydrogen storage. Hydrogen storage …
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 …
Exploration of hydrides XSrH3 (X= Cs, Fr) for hydrogen storage applications: A first principles study
The strontium based hydrides XSrH 3 (X= Cs, Fr) are investigated in current study using first
principles calculations for hydrogen storage applications. The obtained lattice constants for …
principles calculations for hydrogen storage applications. The obtained lattice constants for …
First-principles analysis to assess the solar water splitting and hydrogen storage capabilities of Cs2XGaH6 (X= Al, Na)
Hydrogen storage has gained popularity recently due to its advantages as an energy
source. Research on hydrogen storage applications primarily focuses on evaluating the …
source. Research on hydrogen storage applications primarily focuses on evaluating the …
Pressure-induced modulation of structural, electronic, and optical properties of LiCaF3 fluoro perovskite for optoelectronic applications
MA Rehman, Z ur Rehman, M Usman, U Farrukh… - Solid State …, 2024 - Elsevier
The structural, electronic, and optical properties of LiCaF 3 fluoro perovskite were
investigated under hydrostatic pressures ranging from 0 to 50 GPa using density functional …
investigated under hydrostatic pressures ranging from 0 to 50 GPa using density functional …
Theoretical investigation of XSnH3 (X: Rb, Cs, and Fr) perovskite hydrides for hydrogen storage application
The current study investigated the structural, mechanical, electronic, and optical properties
of new perovskite hydrides XSnH 3 (X= Rb, Cs, and Fr) for hydrogen storage applications …
of new perovskite hydrides XSnH 3 (X= Rb, Cs, and Fr) for hydrogen storage applications …
The first principles insights of aluminum-based hydrides for hydrogen storage application
W Khan - International Journal of Hydrogen Energy, 2024 - Elsevier
Hydrogen storage is an urgent issue for mobile applications, to overcome this issue solid
materials have a potential role for hydrogen storage applications. Moreover, the perovskite …
materials have a potential role for hydrogen storage applications. Moreover, the perovskite …
First principles investigation of structural, mechanical, thermodynamic, and electronic properties of Al-based perovskites XAlH3 (X= K, Rb, Cs) for hydrogen storage
First-principles calculations have been used to study the structural, mechanical, and
hydrogen storage properties of the perovskite hydrides, XAlH3 (X= K, Rb, and Cs). The …
hydrogen storage properties of the perovskite hydrides, XAlH3 (X= K, Rb, and Cs). The …