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)

Parvaiz, Muhammad Mubeen; Khalil, Adnan; Bilal Tahir, Muhammad; Ayub, Sania; Ali, Tarik E.; Masood, Hafiz Tariq

doi:10.1039/d4ra00204k

RSC Adv.

2024

DOI: 10.1039/d4ra00204k

|View full text |Cite

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

Muhammad Mubeen Parvaiz,

Adnan Khalil,

Muhammad Bilal Tahir

et al.

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.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

2025

Publication Types

Select...

Article5

Relationship

Self Cite0

Independent5

Authors

Journals

Cited by 11 publications

References 56 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

Kashif Masood,

Khan,

Bibi

et al. 2024

Computational and Theoretical Chemistry

View full text Add to dashboard Cite

The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

Kashif Masood,

Khan,

Bibi

et al. 2024

Computational and Theoretical Chemistry

View full text Add to dashboard Cite

Extensive screening of novel BaXH3 (X = V, Cr, Co, Ni, Cu, and Zn) perovskites for physical properties and hydrogen storage application: A DFT study

Parvaiz,

Khalil,

Elsaeedy

et al. 2024

International Journal of Hydrogen Energy

View full text Add to dashboard Cite

Theoretical assessment of a novel NaXH3 and KXH3 (X = Tc, Ru and Rh) perovskite hydrides for hydrogen storage

Al-Zoubi,

Almahmoud,

Almahmoud

et al. 2024

International Journal of Hydrogen Energy

View full text Add to dashboard Cite

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

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

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.

Cited by 11 publications

References 56 publications

The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

Extensive screening of novel BaXH3 (X = V, Cr, Co, Ni, Cu, and Zn) perovskites for physical properties and hydrogen storage application: A DFT study

Theoretical assessment of a novel NaXH3 and KXH3 (X = Tc, Ru and Rh) perovskite hydrides for hydrogen storage

Contact Info

Product

Resources

About

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

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.

Cited by 11 publications

References 56 publications

The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: A DFT study

Extensive screening of novel BaXH3 (X = V, Cr, Co, Ni, Cu, and Zn) perovskites for physical properties and hydrogen storage application: A DFT study

Theoretical assessment of a novel NaXH3 and KXH3 (X = Tc, Ru and Rh) perovskite hydrides for hydrogen storage

Contact Info

Product

Resources

About

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