Cited by Design of bifunctional ORR/OER Pt single-atom catalysts based on functionalized Zr2C MXene by first-principle calculations

Quantum insights into O-terminated transition metal carbides: Structural and functional perspective for energy solutions DOI

Fakhra Ghafoor,

Khawar Ismail,

M. A. Rafiq

et al.

Physica B Condensed Matter, Journal Year: 2025, Volume and Issue: unknown, P. 416964 - 416964

Published: Feb. 1, 2025

Language: Английский

Citations

Metal layer intercalation with Mxene to enhance the performance of supercapacitor: Using DFT approach DOI

Sarfraz Ahmad,

Muhammad Imran, Fayyaz Hussain

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 113, P. 115728 - 115728

Published: Feb. 7, 2025

Language: Английский

Citations

A first-principles research of two-dimensional Sc2N monolayer as an anode material for Na, K, Mg, and Ca ion batteries DOI

Chengwei Lü,

Mingliang Qin,

Yu-Pu He

et al.

Solid State Ionics, Journal Year: 2025, Volume and Issue: 423, P. 116820 - 116820

Published: March 7, 2025

Language: Английский

Citations

The impact of various functional groups on quantum capacitance, electronic properties and work function of Nb2C MXene DOI

Mingzhu Liu, Tengfei Wang,

Xing‐Hao Cui

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 120, P. 116508 - 116508

Published: April 9, 2025

Language: Английский

Citations

First-principles investigation of Pt-doped Zr2CSeT (T = F, Cl, Br, I) as high-performance bifunctional ORR/OER catalysts DOI

Pengfei Liu,

Xiao‐Hong Li,

Rui-Zhou Zhang

et al.

Physica B Condensed Matter, Journal Year: 2025, Volume and Issue: unknown, P. 417348 - 417348

Published: May 1, 2025

Language: Английский

Citations

Unveiling the potential of Cs2AgBiBr6 for energy storage application by the achievement of high specific and quantum capacitance DOI

Khushboo Gupta, O. P. Thakur, Mohit Verma

et al.

Inorganic Chemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 114653 - 114653

Published: May 1, 2025

Language: Английский

Citations

First-principles study on the Te/Po doped SrTiO3 (100) surface for photocatalytic overall water splitting to produce hydrogen DOI

Fei Wang, Chuan‐Lu Yang, Xiaohu Li

et al.

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 51, P. 104645 - 104645

Published: June 18, 2024

Language: Английский

Citations

Unraveling quantum capacitance of black phosphorene by the doping of non-metals for energy storage applications using DFT method DOI

Sarfraz Ahmad,

Muhammad Imran, Fayyaz Hussain

et al.

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: unknown, P. 105187 - 105187

Published: Sept. 1, 2024

Language: Английский

Citations

High-Efficiency Adsorption of HF and HCN Gases by Transition Metal X (X=Pd, Mo, Ni) Doped WS2 :A first-principles study DOI

Zhijian Wang, Yong-Chao Liang, Qian Chen

et al.

Physica Scripta, Journal Year: 2024, Volume and Issue: 99(12), P. 125984 - 125984

Published: Nov. 13, 2024

Abstract This article studies the adsorption effect of pristine WS 2 and Pd, Mo, Ni-doped on HF HCN gases based density functional theory. The energy band structure, states (DOS), charge differential (CDD), energy, transfer, molecular orbitals materials are calculated. results show that significantly improve gases. Moreover, Mo_WS /HF system exhibits a transfer 0.48 e, higher than other systems. Ni_WS systems exhibit an increase in transferred charges compared to as adsorbing HCN, which easy adsorb HCN. Using recovery time indicator, is most suitable for between 300 K 400 K, while Analyzed application harmful

Language: Английский

Citations

Design of bifunctional ORR/OER Pt single-atom catalysts based on functionalized Zr2C MXene by first-principle calculations DOI

Pengfei Liu,

Rui-Zhou Zhang,

Xiao‐Hong Li

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 101, P. 212 - 221

Published: Dec. 31, 2024

Language: Английский

Citations