Enhanced physical hydrogen storage in g-C10N3 monolayer with lithium decoration: A first-principles study DOI Creative Commons
Chen Cai, Jing Xiang,

Lingyu Ye

и другие.

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 95, С. 747 - 754

Опубликована: Ноя. 21, 2024

Язык: Английский

Exploration of Li-decorated g-C2O monolayer for enhancing hydrogen storage via first-principles calculations DOI
Wei Feng,

Bin Zhao,

Ji Han

и другие.

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 138, С. 344 - 351

Опубликована: Май 17, 2025

Язык: Английский

Процитировано

0
Investigation on the hydrogen storage properties of alkali-metal-decorated (X = Li, Na, K) B7N5 based on the first-principles DOI

Chao Zhang,

Jing Xiang,

Liangliang Tian

и другие.

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 139, С. 145 - 156

Опубликована: Май 23, 2025

Язык: Английский

Процитировано

0
Unveiling reversible hydrogen storage mechanism for the 2D penta-SiCN material DOI

Qun Wang,

Jiyuan Guo,

Zonggang Qiu

и другие.

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 77, С. 486 - 494

Опубликована: Июнь 18, 2024

Язык: Английский

Процитировано

3
Ca and Sc anchored by polyphthalocyanine: Best sites for hydrogen adsorption DOI
Lijuan Ma,

Jingru Xu,

Jianfeng Wang

и другие.

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 115, С. 73 - 80

Опубликована: Март 9, 2025

Язык: Английский

Процитировано

0
The Role of Pore Diameter on Tuning the Hydrogen Storage Capacity of Yttrium Atom‐Decorated Covalent Organic Frameworks: A Theoretical Study DOI

Valarmani M. Vasanthakannan,

K. Senthilkumar

Energy Storage, Год журнала: 2025, Номер 7(4)

Опубликована: Апрель 25, 2025

ABSTRACT The electronic structure and hydrogen storage properties of benzene‐based covalent organic frameworks (COFs) with pore diameters 0.53, 0.99, 1.45 nm are studied using density functional theory calculations. COFs show poor H 2 molecule adsorption properties. To enhance their properties, Y atoms decorated on the an average binding energy about 5–6 eV per atom. Each atom Y‐decorated COFs, YCOF1, YCOF2, YCOF3 effectively adsorbs six molecules −0.28, −0.34, −0.35 molecule, respectively. capacity is found to be 4.7%, 5.1%, 6.5% desorption temperatures 358, 434, 447 K, findings that a larger diameter provides more space for metal decoration thereby increases capacity. weight percentage meets target suggested by U.S. Department Energy Fuel Cells Hydrogen Joint Undertaking (FCH‐JU) in Europe.

Язык: Английский

Процитировано

0
Highly-efficient hydrogen purification with the T-C3N2 membrane via strain and charge engineering as well as their synergistic effect DOI
Qihua Hou, Wentao Guo, Yongliang Yong

и другие.

Separation and Purification Technology, Год журнала: 2024, Номер 354, С. 128814 - 128814

Опубликована: Июль 14, 2024

Язык: Английский

Процитировано

2
Me–C8B5: A novel two-dimensional carbon boride as reversible hydrogen storage material with high capacity DOI

Yilin Gong,

Dongliang Chen,

Bangmin Guo

и другие.

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 82, С. 384 - 397

Опубликована: Авг. 1, 2024

Язык: Английский

Процитировано

2
Enhanced physical hydrogen storage in g-C10N3 monolayer with lithium decoration: A first-principles study DOI Creative Commons
Chen Cai, Jing Xiang,

Lingyu Ye

и другие.

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 95, С. 747 - 754

Опубликована: Ноя. 21, 2024

Язык: Английский

Процитировано

1