Role of hydroxylation for the atomic structure of a non-polar vicinal zinc oxide
Artikel i vetenskaplig tidskrift, 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.
Författare
Elin Grånäs
Deutsches Elektronen-Synchrotron (DESY)
Michael Busch
Chalmers, Fysik, Kemisk fysik
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
Lunds universitet
Andreas Schaefer
Chalmers, Kemi och kemiteknik, Tillämpad kemi
Lunds universitet
Vedran Vonk
Deutsches Elektronen-Synchrotron (DESY)
Henrik Grönbeck
Chalmers, Fysik, Kemisk fysik
Andreas Stierle
Deutsches Elektronen-Synchrotron (DESY)
Universität Hamburg
Communications Chemistry
23993669 (eISSN)
Vol. 4 1 7Ämneskategorier
Oorganisk kemi
Fysikalisk kemi
Annan kemi
DOI
10.1038/s42004-020-00442-6