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Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst

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A research group led by Prof. Junji Nakamura (Mitsui Chemicals, Inc.–Carbon Neutral Research Center) has proposed a potential diagram of the CH3OH synthesis via H2COOa from CO2 on Cu surfaces, with the aid of density functional theory calculations and literature data, in which the hydrogenation of bidentate HCOOa to H2COOa is potentially the rate-determining step and accounts for the apparent activation energy of the methanol synthesis from CO2 on Cu surfaces.

 

Takeyasu K., Sawaki Y., Imabayashi T., Seputia Eka Marsha Putra, Harry Handoko Halim, Quan J., Hamamoto Y., Hamada I., Morikawa Y., Kondo T, Fujitani T, and Nakamura J*, Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst, Journal of the American Chemical Society. (2022). https://doi.org/10.1021/jacs.2c02797

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Enthalpy-based energy diagram of the CH3OH synthesis from CO2 and H2 on Cu surfaces with respect to the energy level of CO2 + 6Ha + Oa as the reference.