Insights into Supported Subnanometer Catalysts Exposed to CO via Machine-Learning-Enabled Multiscale Modeling

Wang, Yifan; Su, Ya-Qiong; Hensen, Emiel J.  M.; Vlachos, Dionisios G.

doi:10.1021/acs.chemmater.1c03616

Title: Insights into Supported Subnanometer Catalysts Exposed to CO via Machine-Learning-Enabled Multiscale Modeling

Journal Article · 02 February 2022 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c03616· OSTI ID:1977791

Wang, Yifan ^[1];

^[2];

^[3];

^[1]

Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Newark, Delaware 19716, United States; Catalysis Center for Energy Innovation, RAPID Manufacturing Institute, and Delaware Energy Institute (DEI), University of Delaware, 221 Academy Street, Newark, Delaware 19716, United States
School of Chemistry, Xi’an Key Laboratory of Sustainable Energy Materials Chemistry, State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, Xi’an 710049, China; Laboratory of Inorganic Materials and Catalysis, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, Eindhoven 5600 MB, The Netherlands
Laboratory of Inorganic Materials and Catalysis, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, Eindhoven 5600 MB, The Netherlands

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Research Organization:: American Institute of Chemical Engineers (AIChE), New York, NY (United States); Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

DOE Contract Number:: EE0007888; SC0001004

OSTI ID:: 1977791

Journal Information:: Chemistry of Materials, Vol. 34, Issue 4; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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