Selective Acetylene Hydrogenation over Single-Atom Alloy Nanoparticles by Kinetic Monte Carlo
Journal article, 2019
Author
Mikkel Jørgensen
Competence Centre for Catalysis (KCK)
Chalmers, Physics, Chemical Physics
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
Journal of the American Chemical Society
0002-7863 (ISSN) 1520-5126 (eISSN)
Vol. 141 21 8541-8549Catalytic activity from first principles
Swedish Research Council (VR) (2016-05234), 2017-01-01 -- 2020-12-31.
Subject Categories
Polymer Chemistry
Biochemistry and Molecular Biology
Atom and Molecular Physics and Optics
Areas of Advance
Nanoscience and Nanotechnology
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/jacs.9b02132
PubMed
31063683