High-capacity hydrogen storage in Li-decorated newly synthesized 2D polyaramid: Insights from density functional theory DOI

Heera T. Nair,

Prafulla K. Jha, Brahmananda Chakraborty

et al.

FlatChem, Journal Year: 2024, Volume and Issue: 47, P. 100727 - 100727

Published: Aug. 23, 2024

Language: Английский

Unravelling LaNi5 intrinsic degradation: New insights from DFT study on thermodynamics and hydrogen diffusion DOI

M. Adarmouch,

Majid EL Kassaoui,

S. Ait Jmal

et al.

Journal of Energy Storage, Journal Year: 2024, Volume and Issue: 83, P. 110664 - 110664

Published: Feb. 1, 2024

Language: Английский

Citations

12
Hydrogen storage performance of a new two-dimensional B4N4 monolayer decorated with Li atoms: A density functional theory study DOI

Tian Ma,

Haohao Wang,

Jirui Du

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 60, P. 1383 - 1391

Published: Feb. 28, 2024

Language: Английский

Citations

9
Adsorption and gas sensing properties of Pdn(n=1–3) cluster-modified PtSe2 on transformer fault characterizing gases under biaxial strain and electric field DOI

Sirun Tan,

Rui Li,

Haoxiang Yuan

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 697, P. 134500 - 134500

Published: June 12, 2024

Language: Английский

Citations

9
Exploring the hydrogen storage possibility of the pristine, defected and metals decorated o-B2N2 monolayers: Insights from DFT simulations DOI
Darshil Chodvadiya,

Shreya Kanabar,

Brahmananda Chakraborty

et al.

International Journal of Hydrogen Energy, Journal Year: 2023, Volume and Issue: 53, P. 958 - 968

Published: Dec. 5, 2023

Language: Английский

Citations

21
Enhanced storage capacity of hydrogen based on Li-decorated 2D BC6N under ambient conditions: First-principles study DOI
Basheer Ahmed Kalwar,

Wang Fangzong,

Muhammad Rafique

et al.

Computational Materials Science, Journal Year: 2023, Volume and Issue: 231, P. 112621 - 112621

Published: Oct. 30, 2023

Language: Английский

Citations

18
Hydrogen storage capacity and reversibility of BC3N2 monolayers with and without Li decoration insights from first-principles methods DOI
Mengting Zhao, Yongliang Yong, Qihua Hou

et al.

International Journal of Hydrogen Energy, Journal Year: 2023, Volume and Issue: 53, P. 899 - 906

Published: Dec. 3, 2023

Language: Английский

Citations

17
Ultrahigh-capacity reversible hydrogen storage in BN-biphenylene under environmental conditions DOI

Fengyu Miao,

Jie Li, Lingzhi Wu

et al.

Physical Review Materials, Journal Year: 2024, Volume and Issue: 8(7)

Published: July 18, 2024

Language: Английский

Citations

8
Improving the hydrogen storage performance of metal-decorated tetragonal boron carbide monolayer: First-principles investigations DOI

Abdallah Bnihoum,

Majid EL Kassaoui, M. Ballı

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 74, P. 56 - 65

Published: June 13, 2024

Language: Английский

Citations

6
A DFT study on defects and N doping to enhance hydrogen storage in Mg-decorated graphene DOI

Leilei Tang,

Shunping Shi,

Chunyu Yao

et al.

Applied Surface Science, Journal Year: 2023, Volume and Issue: 648, P. 159078 - 159078

Published: Dec. 6, 2023

Language: Английский

Citations

15
First principles investigation of novel room temperature reversible hydrogen storage media: A Li-decorated 2D B7N5 monolayer DOI
Liang Zhang, Jie Ren, Jiang Cheng

et al.

Journal of Energy Storage, Journal Year: 2023, Volume and Issue: 80, P. 110217 - 110217

Published: Dec. 27, 2023

Language: Английский

Citations

13