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A DFT Study of Band-Gap Tuning in 2D Black Phosphorus Via Li+, Na+, Mg2+, and Ca2+ Ions

Liuhua Mu, Jie Jiang, Shiyu Gao, Xiao-Yan Li,Shiqi Sheng

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES(2024)

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Key words
2D black phosphorus,band gap,light metal ions,battery electrode,DFT calculations
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