Active Site Representation in First-Principles Microkinetic Models: Data-Enhanced Computational Screening for Improved Methanation Catalysts

Dokumenttyp:: Zeitschriftenaufsatz
Autor(en):: Deimel, Martin; Reuter, Karsten; Andersen, Mie
Titel:: Active Site Representation in First-Principles Microkinetic Models: Data-Enhanced Computational Screening for Improved Methanation Catalysts
Zeitschriftentitel:: ACS Catalysis
Jahr:: 2020
Band / Volume:: 10
Heft / Issue:: 22
Seitenangaben Beitrag:: 13729-13736
Volltext / DOI:: doi:10.1021/acscatal.0c04045
Verlag / Institution:: American Chemical Society (ACS)
E-ISSN:: 2155-54352155-5435
Publikationsdatum:: 10.11.2020
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