First-principles investigation on the effect of Nb and Ta doping on the hydrogen storage performance of ZrCo

Zhang, Binjing; Luo, Wenhua; Ye, Xiaoqiu; Sang, Ge

doi:10.1016/j.comptc.2024.114688

Computational and Theoretical Chemistry

2024

DOI: 10.1016/j.comptc.2024.114688

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First-principles investigation on the effect of Nb and Ta doping on the hydrogen storage performance of ZrCo

Binjing Zhang,

Wenhua Luo,

Xiaoqiu Ye

et al.

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Cited by 3 publications

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First-principles investigation on the effect of Nb and Ta doping on the hydrogen storage performance of ZrCo

Cited by 3 publications

References 52 publications

Effects of different transition metal elements on the thermodynamic properties of thorium-based carbide nuclear fuels: A first-principles study

Effects of different transition metal elements on the thermodynamic properties of thorium-based carbide nuclear fuels: A first-principles study

The thermodynamic properties of ZrCo hydrogen isotopes storage: The effect of Ta doping

The synergistic effect of co-doping with Ti, Nb, and Ni on the hydrogen storage capacity of ZrCo

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