First-principles study of O2 and H2O adsorption on the Mg3Sb2(10−11) surface

Li, Juan; Han, Heyou; Sun, Bing; Cao, Liqin; Zhang, Shuai

doi:10.1039/d3cp01104f

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp01104f

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First-principles study of O₂ and H₂O adsorption on the Mg₃Sb₂(10−11) surface

Juan Li

Heyou Han

Bing Sun

et al.

Abstract: The degeneration of thermoelectric properties in air is one of the factors limiting the practical application of high-performance n-type Mg3Sb2. In this work, first-principles calculations are conducted to study the...

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First-principles study of O₂ and H₂O adsorption on the Mg₃Sb₂(10−11) surface

Abstract: The degeneration of thermoelectric properties in air is one of the factors limiting the practical application of high-performance n-type Mg3Sb2. In this work, first-principles calculations are conducted to study the...

Cited by 0 publications

References 38 publications

No citations

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