Optimization of Work Function via Bayesian Machine Learning Combined with First-Principles Calculation

  • Wataru Hashimoto
    Institute for Materials Chemistry and Engineering and IRCCS, Kyushu University, Nishi-ku, Fukuoka 819-0395, Japan
  • Yuta Tsuji
    Institute for Materials Chemistry and Engineering and IRCCS, Kyushu University, Nishi-ku, Fukuoka 819-0395, Japan
  • Kazunari Yoshizawa
    Institute for Materials Chemistry and Engineering and IRCCS, Kyushu University, Nishi-ku, Fukuoka 819-0395, Japan

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説明

Work function is one of the most fundamental and important physical quantities in surface science. Materials with either lower work function or higher work function would find various applications,...

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