First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts
Journal article, 2023
Author
Sungil Hong
University of Pittsburgh
Minttu Maria Kauppinen
Chalmers, Physics, Chemical Physics
Evan V. Miu
University of Pittsburgh
Giannis Mpourmpakis
University of Pittsburgh
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
Catalysis Science and Technology
2044-4753 (ISSN) 2044-4761 (eISSN)
Vol. 13 24 6999-7010Adaptive multiscale modeling in heterogeneous catalysis
Swedish Research Council (VR) (2020-05191), 2021-01-01 -- 2024-12-31.
Subject Categories
Inorganic Chemistry
DOI
10.1039/d3cy01335a