Detail publikace

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.

Originální název

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

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

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.

Klíčová slova

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

Autoři

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

Vydáno

27. 12. 2022

Nakladatel

AMER CHEMICAL SOC

Místo

WASHINGTON

ISSN

1936-086X

Periodikum

ACS Nano (e-ISSN)

Ročník

16

Číslo

12

Stát

Spojené státy americké

Strany od

21163

Strany do

21173

Strany počet

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"
}