Presentation Information
[16p-K505-2]Exploring catalysts for ammonia synthesis using databases and machine learning models II
〇Takuya Horita1, Ryoji Asahi1 (1.Nagoya Univ.)
Keywords:
catalysts for ammonia synthesis,machine learning
The conventional ammonia synthesis method under high temperature and high pressure emits high CO2 emissions, so catalytic materials have been developed to realize ammonia synthesis under mild conditions. I evaluated the adsorption energy of nitrogen for the material database using a machine learning model. I used self-attention mechanism to obtain guidelines for material design by examining in detail the relationship between materials and compositions that are expected to have high activity from volcano type plots.
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