Presentation Information
[C09]Design of Pt-based alloy catalysts using computational science for dehydrogenation of secondary alcohols
○Tomoaki Takayama1, Mami Nakano1, Yosuke Harashima1, Shogo Takasuka1, Mikiya Fujii1 (1. Nara Institute of Science and Technology)
Keywords:
Pt-based alloy catalyst,Density functional theory,Machine learning
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