Publication detail

Water Structures Reveal Local Hydrophobicity on the In2O3(111) Surface

CHEN, H. BLATNIK, M. RITTERHOFF, C. SOKOLOVIC, I. MIRABELLA, F. FRANCESCHI, G. RIVA, M. SCHMID, M. ČECHAL, J. MEYER, B. DIEBOLD, U. WAGNER, M.

Original Title

Water Structures Reveal Local Hydrophobicity on the In2O3(111) Surface

Type

journal article in Web of Science

Language

English

Original Abstract

Clean oxide surfaces are generally hydrophilic. Water molecules anchor at undercoordinated surface metal atoms that act as Lewis acid sites, and they are stabilized by H bonds to undercoordinated surface oxygens. The large unit cel l of In2O3(111) provides surface atoms in various configurations, which leads to chemical heterogeneity and a local deviation from this general rule. Experiments (TPD, XPS, nc-AFM) agree quantitatively with DFT calculations and show a series of distinct phases. The first three water molecules dissociate at one specific area of the unit cell and desorb above room temperature. The next three adsorb as molecules in the adjacent region. Three more water molecules rearrange this structure and an additional nine pile up above the OH groups. Despite offering undercoordinated In and O sites, the rest of the unit cel l is unfavorable for adsorption and remains water-free. The first water layer thus shows ordering into nanoscopic 3D water clusters separated by hydrophobic pockets.

Keywords

indium oxide; water adsorption; water on oxides; atomic force microscopy; temperature-programmed desorption; density functional theory; ab initio molecular dynamics simulations

Authors

CHEN, H.; BLATNIK, M.; RITTERHOFF, C.; SOKOLOVIC, I.; MIRABELLA, F.; FRANCESCHI, G.; RIVA, M.; SCHMID, M.; ČECHAL, J.; MEYER, B.; DIEBOLD, U.; WAGNER, M.

Released

27. 12. 2022

Publisher

AMER CHEMICAL SOC

Location

WASHINGTON

ISBN

1936-086X

Periodical

ACS Nano (e-ISSN)

Year of study

16

Number

12

State

United States of America

Pages from

21163

Pages to

21173

Pages count

11

URL

https://pubs.acs.org/doi/10.1021/acsnano.2c09115

BibTex

@article{BUT182372,
  author="Hao {Chen} and Matthias {Blatnik} and Christian L. {Ritterhoff} and Igor {Sokolovic} and Francesca {Mirabella} and Giada {Franceschi} and Michele {Riva} and Michael {Schmid} and Jan {Čechal} and Bernd {Meyer} and Ulrike {Diebold} and Margareta {Wagner}",
  title="Water Structures Reveal Local Hydrophobicity on the In2O3(111) Surface",
  journal="ACS Nano (e-ISSN)",
  year="2022",
  volume="16",
  number="12",
  pages="21163--21173",
  doi="10.1021/acsnano.2c09115",
  issn="1936-086X",
  url="https://pubs.acs.org/doi/10.1021/acsnano.2c09115"
}