Computational evaluation of novel XCuH3 (X = Li, Na and K) perovskite-type hydrides for hydrogen storage applications using LDA and GGA approach-Reference-Cited by-同舟云学术

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Computational evaluation of novel XCuH3 (X = Li, Na and K) perovskite-type hydrides for hydrogen storage applications using LDA and GGA approach

Published:2024-09 Issue: Volume:131 Page:108808
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Mubashir Muhammad,Ali Mubashar^ORCID,Bibi Zunaira,Afzal Usama,Albaqami Munirah D.,Mohammad Saikh,Muzamil Muhammad

Funder

King Saud University

Publisher

Elsevier BV

Reference76 articles.

1. Efficient hydrogen storage in LiMgF3: a first principle study;Mubashir;Int. J. Hydrogen Energy,2024

2. Enhancement of hydrogen storage characteristics of Na2CaH4 hydrides by introducing the Mg and Be dopant: a first-principles study;Ali;Int. J. Hydrogen Energy,2024

3. Effective hydrogen storage in Na2 (Be/Mg) H4 hydrides: perspective from density functional theory;Ali;Int. J. Hydrogen Energy,2024

4. First-principles evaluation of LiCaF3-αHα as an effective material for solid-state hydrogen storage;Ali;J. Energy Storage,2024

5. An accurate prediction of electronic structure, mechanical stability and optical response of BaCuF3 fluoroperovskite for solar cell application;Ali;Sol. Energy,2024

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations;Journal of Energy Storage;2024-10

2. Exploring promising KAH3 (A = Ca, Sr and Ba) hydrides for solid-state hydrogen storage and thermoelectric applications;International Journal of Hydrogen Energy;2024-09

3. Ab initio study of the structural, mechanical, optoelectronic and thermo-physical properties of XGaH5 (X=Ba, Ca, and Mg) compounds for hydrogen storage applications;International Journal of Hydrogen Energy;2024-09

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