CO2の還元反応中介物質と変換金属ドーピングされたγ-GeSe単層の予測:結合DFTと機械学習のアプローチ

Xuxin Kang1, Wenjing Zhou1, Ziyuan Li1

  • 1School of Physical Science and Technology, Ningbo University, Ningbo, 315211, China.

まとめ

機械学習とDFTを使って 単一原子の触媒をCO2削減に 活用しました Ni,Ru,Rh@GeSeは CO2をメタノールのような 有価な製品に変換する見込みがある.

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