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機械学習による非金属表面ドーピングによるNi2Pの水素演化活動の化学圧力駆動強化

Robert B Wexler1, John Mark P Martirez2, Andrew M Rappe1

  • 1Department of Chemistry , University of Pennsylvania , Philadelphia , Pennsylvania 19104-6323 , United States.

Journal of the American Chemical Society
|March 20, 2018
PubMed
まとめ

Ni2P触媒の非金属ドーピングは,水素吸収を調節することにより,水素進化反応 (HER) の活動を強化する. 特に硫黄ドーピングは Ni3の穴の位置を最適化し 効率的な触媒となる.

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