A DFT investigation on structural, electronic, magnetic, optical, elastic and hydrogen storage properties of Ru-based hydride-perovskites XRuH<sub>3</sub> (X = Cr, V, Ni)-Reference-Cited by-同舟云学术

A DFT investigation on structural, electronic, magnetic, optical, elastic and hydrogen storage properties of Ru-based hydride-perovskites XRuH₃ (X = Cr, V, Ni)

Published:2024 Issue:12 Volume:14 Page:8385-8396
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Parvaiz Muhammad Mubeen¹,Khalil Adnan¹^ORCID,Bilal Tahir Muhammad¹²,Ayub Sania¹,Ali Tarik E.³,Masood Hafiz Tariq⁴

Affiliation:

1. Department of Physics, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, 64200, Pakistan

2. Center for Innovative Material Research, Khawaja Fareed University of Engineering and Information Technology Rahim Yar Khan, Rahim Yar Khan 64200, Pakistan

3. Department of Chemistry, Faculty of Science, King Khalid University, P. O. Box 9004, Abha, 61413, Saudi Arabia

4. Department of Physics, University of Sahiwal, Sahiwal, Pakistan

Abstract

This study is the first to investigate the physical properties of ruthenium-based hydride perovskites, specifically XRuH3 (where X = Cr, V, Ni). There is currently no existing literature on these compounds.

Funder

King Khalid University

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D4RA00204K

Reference56 articles.

1. MgTiO3Hx and CaTiO3Hx perovskite compounds for hydrogen storage applications

2. A Bird's Eye view on process and engineering aspects of hydrogen storage

3. Progress and problems in hydrogen storage methods

4. Environmental and economic aspects of hydrogen production and utilization in fuel cell vehicles

5. Global and regional drivers of accelerating CO2 emissions

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