Publication detail

Resolving the adsorption of molecular O-2 on the rutile TiO2(110) surface by noncontact atomic force microscopy

SOKOLOVIC, I. RETICCIOLI, M. ČALKOVSKÝ, M. WAGNER, M. SCHMID, M. FRANCHINI, C. DIEBOLD, U. SETVÍN, M.

Original Title

Resolving the adsorption of molecular O-2 on the rutile TiO2(110) surface by noncontact atomic force microscopy

Type

journal article in Web of Science

Language

English

Original Abstract

Interaction of molecular oxygen with semiconducting oxide surfaces plays a key role in many technologies. The topic is difficult to approach both by experiment and in theory, mainly due to multiple stable charge states, adsorption configurations, and reaction channels of adsorbed oxygen species. Here we use a combination of noncontact atomic force microscopy (AFM) and density functional theory (DFT) to resolve O-2 adsorption on the rutile TiO2 (110) surface, which presents a longstanding challenge in the surface chemistry of metal oxides. We show that chemically inert AFM tips terminated by an oxygen adatom provide excellent resolution of both the adsorbed species and the oxygen sublattice of the substrate. Adsorbed O-2 molecules can accept either one or two electron polarons from the surface, forming superoxo or peroxo species. The peroxo state is energetically preferred under any conditions relevant for applications. The possibility of nonintrusive imaging allows us to explain behavior related to electron/hole injection from the tip, interaction with UV light, and the effect of thermal annealing.

Keywords

O-2; oxides; TiO2; nc-AFM; tip functionalization

Authors

SOKOLOVIC, I.; RETICCIOLI, M.; ČALKOVSKÝ, M.; WAGNER, M.; SCHMID, M.; FRANCHINI, C.; DIEBOLD, U.; SETVÍN, M.

Released

30. 6. 2020

Publisher

NATL ACAD SCIENCES

Location

WASHINGTON

ISBN

0027-8424

Periodical

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Year of study

117

Number

26

State

United States of America

Pages from

14827

Pages to

14837

Pages count

11

URL

https://www.pnas.org/content/117/26/14827.abstract

BibTex

@article{BUT165544,
  author="Igor {Sokolovic} and Michele {Reticcioli} and Martin {Čalkovský} and Margareta Ilse {Wagner} and Michael {Schmid} and Cesare {Franchini} and Ulrike {Diebold} and Martin {Setvín}",
  title="Resolving the adsorption of molecular O-2 on the rutile TiO2(110) surface by noncontact atomic force microscopy",
  journal="PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA",
  year="2020",
  volume="117",
  number="26",
  pages="14827--14837",
  doi="10.1073/pnas.1922452117",
  issn="0027-8424",
  url="https://www.pnas.org/content/117/26/14827.abstract"
}