RSC Adv.
 2021
DOI: 10.1039/d1ra04999b
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Energetics of hydrogen adsorption and diffusion for the main surface planes and all magnetic structures of γ-iron using density functional theory

Urslaan K. Youhan
1
,
Sven P. K. Koehler
2

Abstract: Calculations of adsorption and diffusion energies of hydrogen on and through iron relevant to hydrogen embrittlement.

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