Role of hydroxylation for the atomic structure of a non-polar vicinal zinc oxide
Journal article, 2021
From the catalytic, semiconducting, and optical properties of zinc oxide (ZnO) numerous potential applications emerge. For the physical and chemical properties of the surface, under-coordinated atoms often play an important role, necessitating systematic studies of their influence. Here we study the vicinal ZnO(10 1 ¯ 4) surface, rich in under-coordinated sites, using a combination of several experimental techniques and density functional theory calculations. We determine the atomic-scale structure and find the surface to be a stable, long-range ordered, non-polar facet of ZnO, with a high step-density and uniform termination. Contrary to an earlier suggested nano-faceting model, a bulk termination fits much better to our experimental observations. The surface is further stabilized by dissociatively adsorbed H2O on adjacent under-coordinated O- and Zn-atoms. The stabilized surface remains highly active for water dissociation through the remaining under-coordinated Zn-sites. Such a vicinal oxide surface is a prerequisite for future adsorption studies with atomically controlled local step and terrace geometry.
Author
Elin Grånäs
Deutsches Elektronen-Synchrotron (DESY)
Michael Busch
Chalmers, Physics, Chemical Physics
Björn Arndt
Deutsches Elektronen-Synchrotron (DESY)
University of Hamburg
Marcus Creutzburg
University of Hamburg
Deutsches Elektronen-Synchrotron (DESY)
Guilherme Dalla Lana Semione
Deutsches Elektronen-Synchrotron (DESY)
University of Hamburg
Johan Gustafson
Lund University
Andreas Schaefer
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Lund University
Vedran Vonk
Deutsches Elektronen-Synchrotron (DESY)
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
Andreas Stierle
Deutsches Elektronen-Synchrotron (DESY)
University of Hamburg
Communications Chemistry
23993669 (eISSN)
Vol. 4 1 7Subject Categories
Inorganic Chemistry
Physical Chemistry
Other Chemistry Topics
DOI
10.1038/s42004-020-00442-6