Steps Control the Dissociation of CO2 on Cu(100)
Artikel i vetenskaplig tidskrift, 2018

CO2 reduction reactions, which provide one route to limit the emission of this greenhouse gas, are commonly performed over Cu-based catalysts. Here, we use ambient pressure X-ray photoelectron spectroscopy together with density functional theory to obtain an atomistic understanding of the dissociative adsorption of CO2 on Cu(100). We find that the process is dominated by the presence of steps, which promote both a lowering of the dissociation barrier and an efficient separation between adsorbed O and CO, reducing the probability for recombination. The identification of steps as sites for efficient CO2 dissociation provides an understanding that can be used in the design of future CO2 reduction catalysts.

Författare

Benjamin Hagman

Lunds universitet

Alvaro Posada Borbon

Chalmers, Fysik, Kemisk fysik

Andreas Schaefer

Chalmers, Kemi och kemiteknik, Tillämpad kemi, Per-Anders Carlsson Group

Mikhail Shipilin

Lunds universitet

Stockholms universitet

Chu Zhang

Lunds universitet

Lindsay Merte

Malmö universitet

Anders Hellman

Chalmers, Fysik, Kemisk fysik

Edvin Lundgren

Lunds universitet

Henrik Grönbeck

Chalmers, Fysik, Kemisk fysik

Johan Gustafson

Lunds universitet

Journal of the American Chemical Society

0002-7863 (ISSN) 1520-5126 (eISSN)

Vol. 140 40 12974-12979

Atomär design av katalysatorer

Knut och Alice Wallenbergs Stiftelse, 2016-01-07 -- 2021-06-30.

Ämneskategorier

Fysikalisk kemi

Annan fysik

Annan kemi

Den kondenserade materiens fysik

Infrastruktur

C3SE (Chalmers Centre for Computational Science and Engineering)

DOI

10.1021/jacs.8b07906

Mer information

Senast uppdaterat

2018-12-18