Publications of Ray Miyazaki

Miyazaki, R.; Faraji, S.; Levchenko, S. V.; Foppa, L.; Scheffler, M.: Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C₂H₂ and C₂H₄ on transition-metal surfaces. Catalysis Science & Technology 14 (23), pp. 6924 - 6933 (2024)

Miyazaki, R.; Belthle, K. S.; Tüysüz, H.; Foppa, L.; Scheffler, M.: Materials Genes of CO₂ Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data. Journal of the American Chemical Society 146 (8), pp. 5433 - 5444 (2024)

Miyazaki, R.; Iida, K.; Ohno, S.; Matsuzaki, T.; Suzuki, T.; Arisawa, M.; Hasegawa, J.-y.: Substrate-Assisted Reductive Elimination Determining the Catalytic Cycle: A Theoretical Study on the Ni-Catalyzed 2,3-Disubstituted Benzofuran Synthesis via C-O Bond Activation. Organometallics 41 (23), pp. 3581 - 3588 (2022)

Belthle, K. S.; Beyazay, T.; Ochoa-Hernández, C.; Miyazaki, R.; Foppa, L.; Martin, W. F.; Tüysüz, H.: Effects of Silica Modification (Mg, Al, Ca, Ti, and Zr) on Supported Cobalt Catalysts for H₂-Dependent CO₂ Reduction to Metabolic Intermediates. Journal of the American Chemical Society 144 (46), pp. 21232 - 21243 (2022)

Miyazaki, R.: Identifying Materials Genes Describing Selectivity of Catalytic CO₂ Hydrogenation: An AI Approach With Theoretical and Experimental Data. Fundamentals of Heterogeneous Catalysis, FUNCAT 2023, Cardiff, UK (2023)

Miyazaki, R.: AI With Experimental and Theoretical Data Toward the Understanding of CO₂ Hydrogenation Catalysis: The Role of the Supporting Materials. NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany (2022)