Computational study of Be/Mg-decorated hexagonal chromium ditelluride (CrTe2) for hydrogen storage applications DOI

Gul Saira,

Syeda Masooma Zaigam,

Muhammad Isa Khan

et al.

Journal of Energy Storage, Journal Year: 2024, Volume and Issue: 103, P. 114221 - 114221

Published: Oct. 24, 2024

Language: Английский

The performance of MOFs and rich structure types of stable Zr-MOFs in storing clean energy: Hydrogen DOI
Kayhaneh Berijani, G. Reza Vakili-Nezhaad

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 116, P. 115928 - 115928

Published: March 6, 2025

Language: Английский

Citations

1
Hydrogen storage on MgO supported TiMgn (n = 2–6) clusters: A first principle investigation DOI
Soham Chatterjee, Debashis Bandyopadhyay

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 77, P. 1467 - 1475

Published: July 3, 2024

Language: Английский

Citations

4
Hydrogen storage in Ti doped 4-6-8 biphenylene (Ti.C468): Insights from density functional theory DOI
Chaithanya Purushottam Bhat, Debashis Bandyopadhyay

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 79, P. 377 - 393

Published: July 8, 2024

Language: Английский

Citations

4
Li-Doped 2D Aza-Fused Covalent Organic Framework: A Promising Avenue for Hydrogen Storage DOI Creative Commons
Preeti Beniwal,

T. J. Dhilip Kumar

Sustainable Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

In this article, we used DFT calculations and ab initio molecular dynamics simulations, to study two-dimensional (2D) aza-fused covalent organic framework (aza-COF) doped with Li, which is shown be a promising material for hydrogen storage applications.

Language: Английский

Citations

0
Modulation of H2 adsorption in C9N
Preeti Beniwal,

T. J. Dhilip Kumar

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 162472 - 162472

Published: Jan. 1, 2025

Language: Английский

Citations

0
γ-Graphdiyne decorated with Y and Zr: A DFT study on hydrogen storage and material properties DOI

Heera T. Nair,

Prafulla K. Jha, Brahmananda Chakraborty

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 114, P. 115854 - 115854

Published: Feb. 20, 2025

Language: Английский

Citations

0
Effect of N-doping and biaxial compressive strain on H2 adsorption of 2D holey graphyne monolayer via first-principles study DOI
Preeti Beniwal, Brahmananda Chakraborty,

T. J. Dhilip Kumar

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 115, P. 186 - 197

Published: March 10, 2025

Language: Английский

Citations

0
Diffusion, dissociation, and adsorption mechanisms of hydrogen on the Zr surface: A comprehensive theoretical study DOI
Dong Xu, Xueqing Zhang, Zhe Xue

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 119, P. 252 - 259

Published: March 23, 2025

Language: Английский

Citations

0
A strain-engineering approach to enhance hydrogen storage in 2D holey graphyne DOI
Antara Vaidyanathan, Vaibhav Wagh, Brahmananda Chakraborty

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 125, P. 266 - 276

Published: April 10, 2025

Language: Английский

Citations

0
Ca-decorated holey graphyne for reversible hydrogen storage: Insights from DFT analysis DOI

Srikanth Adithya,

Unnati Jethawa,

Sk. Musharaf Ali

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 90, P. 470 - 480

Published: Oct. 5, 2024

Language: Английский

Citations

3