TY - JOUR

T1 - Roughening of Copper (100) at Elevated CO Pressure

T2 - Cu Adatom and Cluster Formation Enable CO Dissociation

AU - Roiaz, Matteo

AU - Falivene, Laura

AU - Rameshan, Christoph

AU - Cavallo, Luigi

AU - Kozlov, Sergey M.

AU - Rupprechter, Günther

N1 - Publisher Copyright: Copyright © 2018 American Chemical Society.

PY - 2019/4/4

Y1 - 2019/4/4

N2 - Carbon monoxide participates in many copper-catalyzed reactions, which makes CO-induced structural changes of Cu catalysts key for important industrial processes. We have studied the interaction of carbon monoxide with the Cu(100) single crystal termination at 120, 200, and 300 K by means of low-energy electron diffraction (LEED), temperature-programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), polarization-modulation infrared reflection absorption spectroscopy (PM-IRAS), and density functional theory (DFT) calculations. The absorption band of CO (2082–2112 cm–1) at elevated gas pressure (up to 5 mbar) and at 200/300 K was found at a higher wavenumber than the characteristic band of the c(2 × 2)CO structure and was consistent with CO adsorbed on low-coordinated Cu atoms. The combined PM-IRAS/DFT analysis revealed that exposure to CO induced surface roughening through the formation of Cu adatoms and clusters on the (100) terraces. The roughened surface seemed surprisingly active for CO dissociation, which indicates its unique catalytic properties.

AB - Carbon monoxide participates in many copper-catalyzed reactions, which makes CO-induced structural changes of Cu catalysts key for important industrial processes. We have studied the interaction of carbon monoxide with the Cu(100) single crystal termination at 120, 200, and 300 K by means of low-energy electron diffraction (LEED), temperature-programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), polarization-modulation infrared reflection absorption spectroscopy (PM-IRAS), and density functional theory (DFT) calculations. The absorption band of CO (2082–2112 cm–1) at elevated gas pressure (up to 5 mbar) and at 200/300 K was found at a higher wavenumber than the characteristic band of the c(2 × 2)CO structure and was consistent with CO adsorbed on low-coordinated Cu atoms. The combined PM-IRAS/DFT analysis revealed that exposure to CO induced surface roughening through the formation of Cu adatoms and clusters on the (100) terraces. The roughened surface seemed surprisingly active for CO dissociation, which indicates its unique catalytic properties.

UR - http://www.scopus.com/inward/record.url?scp=85056447983&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.8b07668

DO - 10.1021/acs.jpcc.8b07668

M3 - Article

AN - SCOPUS:85056447983

VL - 123.2019

SP - 8112

EP - 8121

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 13

ER -