The DFT prediction of comprehensive properties of antiperovskites Mg6CX4 (X = S, Se, Te) and effects of defects and surface adsorption

Tang, Tianyu; Tang, Yanlin

doi:10.1016/j.mtcomm.2024.110794

Materials Today Communications

2024

DOI: 10.1016/j.mtcomm.2024.110794

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The DFT prediction of comprehensive properties of antiperovskites Mg6CX4 (X = S, Se, Te) and effects of defects and surface adsorption

Tianyu Tang,

Yanlin Tang

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The DFT prediction of comprehensive properties of antiperovskites Mg6CX4 (X = S, Se, Te) and effects of defects and surface adsorption

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References 95 publications

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