Combining the first-principles calculations with kinetic Monte Carlo simulations of LaNi5-graphene heterojunctions as hydrogen storage materials DOI

Junxian Wu,

Jinghua Guo, N. T. Zhang

et al.

Computational Materials Science, Journal Year: 2024, Volume and Issue: 246, P. 113470 - 113470

Published: Nov. 1, 2024

Language: Английский

Analyzing the research trends in the direction of hydrogen storage – A look into the past, present and future for the various technologies DOI
Ephraim Bonah Agyekum, Christabel Nutakor, Tahir Ali Khan

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 74, P. 259 - 275

Published: June 14, 2024

Language: Английский

Citations

27
Computational investigation of NLi4-cluster decorated phosphorene for reversible hydrogen storage DOI

Mohammed Boubkri,

Majid EL Kassaoui,

Achraf Razouk

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 72, P. 1 - 8

Published: May 25, 2024

Language: Английский

Citations

13
Lithium Functionalization in a Three-Dimensional Graphene Monolith for Enhanced Adsorption–Desorption Hydrogen Storage DOI
Majid EL Kassaoui, Mohammed Loulidi, A. Benyoussef

et al.

The Journal of Physical Chemistry C, Journal Year: 2024, Volume and Issue: 128(22), P. 8911 - 8922

Published: May 23, 2024

Three-dimensional (3D) carbon allotropes have been extensively researched for their potential new applications in batteries, gas separation, and electronic devices. Therefore, this current study investigates the suitability of 3D porous HZGM-42 efficient hydrogen storage due to its enlarged pore size, mechanical rigidity, stability decorating lithium (Li) atoms on channels by a polarization mechanism, using state-of-the-art theoretical simulations. Our findings demonstrate that is an ideal material with high thermal thermodynamic stability, Li-binding strength (−2.92 eV), hydrogenation adsorption appropriate range (−0.233 eV/H2), H2 capacity (6.08 wt %), very-low activation barriers (0.018–0.026 eV) migration. Furthermore, exploration effect equilibrium pressure van't Hoff desorption temperature system shows that, at 100 Atm, dehydrogenation reaches standard conditions (243 K) time 67 ns. The effectiveness adsorption–desorption cycles fully hydrogenated Li@HZGM-42 near room was also investigated ab initio molecular dynamics calculations. We believe expands scope valuable insights into experimental explorations networks high-performance storage.

Language: Английский

Citations

9
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
Ni/V-MgnHm nanoclusters: Recent advances toward improving the dehydrogenation thermodynamics for efficient hydrogen storage DOI
Majid EL Kassaoui, J. Labrousse,

Mohammed Loulidi

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 89, P. 272 - 278

Published: Sept. 27, 2024

Language: Английский

Citations

6
Enhanced hydrogenation properties of two-dimensional MgH2 by doping, vacancy-like defects and strain engineering: A theoretical study DOI

Achraf Razouk,

Majid EL Kassaoui,

Mohammed Boubkri

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 92, P. 1078 - 1090

Published: Oct. 30, 2024

Language: Английский

Citations

5
Towards sustainable mobility: A systematic review of hydrogen refueling station security assessment and risk prevention DOI Creative Commons

Kangrui Jiang,

Zhongbei Tian,

Ian Cullis

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 105, P. 1266 - 1280

Published: Jan. 30, 2025

Language: Английский

Citations

0
Exploring the physical properties of the perovskite-type hydrides NaXH3 (X = Ni, Cu, Zn) for hydrogen storage applications: A DFT study DOI

Ahsan Farid,

Jawaria Fatima,

Eman Aldosari

et al.

Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 12, 2025

Language: Английский

Citations

0
A Comprehensive Review of H2 Physical Behavior and H2-Rock-Microbial Interactions in Underground Hydrogen Storage DOI

Zanfu Xiong,

Jian Hou, Qingjun Du

et al.

Energy, Journal Year: 2025, Volume and Issue: unknown, P. 136226 - 136226

Published: April 1, 2025

Language: Английский

Citations

0
Dynamic modeling and analysis of PV-Wind/Fuel cell/TEG hybrid system including metal hydride tank for hydrogen upgrading DOI
Mohamed Hajji,

H. El Alem,

H. Labrim

et al.

Energy, Journal Year: 2025, Volume and Issue: unknown, P. 135999 - 135999

Published: April 1, 2025

Language: Английский

Citations

0