Investigations on Lithium decorated light weight BeN4 for reversible and enhanced hydrogen storage; an Ab-Initio Molecular Dynamic (AIMD) study DOI
Muhammad Rafique, Yong Shuai, Basheer Ahmed Kalwar

et al.

Renewable Energy, Journal Year: 2024, Volume and Issue: unknown, P. 122217 - 122217

Published: Dec. 1, 2024

Language: Английский

Hydrogen adsorption on metal-decorated BN atom-pair substituted biphenylene network: A DFT investigation DOI
Lijuan Ma,

Jingru Xu,

Jianfeng Wang

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 114, P. 115889 - 115889

Published: Feb. 18, 2025

Language: Английский

Citations

0
Utilizing BN-biphenylene nanosheet as a potential carrier for thioguanine: a promising drug delivery system DOI
Yousef A. Bin Jardan,

Yashwantsinh Jadeja,

Soumya V. Menon

et al.

Chemical Papers, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 26, 2025

Language: Английский

Citations

0
Designing Lithium-Decorated Aza-Triphenylene-Based Covalent Organic Frameworks for High-Capacity Hydrogen Storage: A Computational Study DOI

M Amrutha,

Shakti S. Ray, Sk. Musharaf Ali

et al.

ACS Applied Energy Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 8, 2025

Language: Английский

Citations

0
β-naphthyldiene: A novel multifunctional 2D material for energy storage applications DOI
Yusuf Zuntu Abdullahi, José A.S. Laranjeira, Júlio R. Sambrano

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 122, P. 116631 - 116631

Published: April 19, 2025

Language: Английский

Citations

0
Lithium-modified B3C2P3 monolayer as a promising medium for reversible hydrogen storage DOI
Jie Li,

Fengyu Miao,

Lingzhi Wu

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 82, P. 994 - 1000

Published: Aug. 6, 2024

Language: Английский

Citations

2
Combined experimental and theoretical studies on adsorption characteristics of graphitic carbon nitride for flue gas molecules DOI
Haiyang Li,

Jiangyi Tong,

Xiaoshuo Liu

et al.

Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 354, P. 129150 - 129150

Published: Aug. 10, 2024

Language: Английский

Citations

1
Sodium‐Decorated SiB Monolayer for Reversible Hydrogen Storage: High‐Capacity Achieved by Carbon Doping DOI Creative Commons

Fengyu Miao,

Jie Li, Feng Zhang

et al.

International Journal of Energy Research, Journal Year: 2024, Volume and Issue: 2024(1)

Published: Jan. 1, 2024

Based on the first‐principles calculation and grand canonical Monte Carlo (GCMC) simulation, reversible hydrogen storage of Na‐decorated silicon boron (SiB) C‐doped SiB monolayers have been investigated. For double side 4Na‐decorated monolayer, each Na atom can adsorb five H 2 molecules with average adsorption energy −0.18 eV/H , yielding an gravimetric density 9.09 wt% desorption temperature T D 227 K. To further improve temperature, doping effect was employed to enhance internal electric field between substrate. When two Si atoms in monolayer were replaced by C atoms, for significantly improved. The reaches 10.63 −0.22 . Meanwhile, raised from 282 K, reaching ideal condition near room temperature. In addition, GCMC simulations confirm that fully meet latest target (5.5 wt%) both monolayer. Our results indicate Na‐modified be used as promising materials storage.

Language: Английский

Citations

1
Investigations on Lithium decorated light weight BeN4 for reversible and enhanced hydrogen storage; an Ab-Initio Molecular Dynamic (AIMD) study DOI
Muhammad Rafique, Yong Shuai, Basheer Ahmed Kalwar

et al.

Renewable Energy, Journal Year: 2024, Volume and Issue: unknown, P. 122217 - 122217

Published: Dec. 1, 2024

Language: Английский

Citations

1