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)

Universität Hamburg

Marcus Creutzburg

Universität Hamburg

Deutsches Elektronen-Synchrotron (DESY)

Guilherme Dalla Lana Semione

Deutsches Elektronen-Synchrotron (DESY)

Universität 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)

Universität Hamburg

Communications Chemistry

23993669 (eISSN)

Vol. 4 1 7

Subject Categories

Inorganic Chemistry

Physical Chemistry

Other Chemistry Topics

DOI

10.1038/s42004-020-00442-6

More information

Latest update

2/3/2021 1