Water Dissociation and Hydroxyl Ordering on Anatase TiO2 (001)- (1×4)

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Standard

Water Dissociation and Hydroxyl Ordering on Anatase TiO2 (001)- (1×4). / Beinik, Igor; Bruix, Albert; Li, Zheshen; Adamsen, Kræn C.; Koust, Stig; Hammer, Bjørk; Wendt, Stefan; Lauritsen, Jeppe V.

I: Physical Review Letters, Bind 121, Nr. 20, 206003, 15.11.2018.

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Harvard

APA

CBE

MLA

Vancouver

Author

Bibtex

@article{162527bb1ddd4efa865f18e0a3bd2fec,
title = "Water Dissociation and Hydroxyl Ordering on Anatase TiO2 (001)- (1×4)",
abstract = "We studied the interaction of water with the anatase TiO2(001) surface by means of scanning tunneling microscopy, x-ray photoelectron spectroscopy, and density functional theory calculations. Water adsorbs dissociatively on the ridges of a (1×4) reconstructed surface, resulting in a (3×4) periodic structure of hydroxyl pairs. We observed this process at 120 K, and the created hydroxyls desorb from the surface by recombination to water, which occurs below 300 K. Our calculations reveal the water dissociation mechanism and uncover a very pronounced dependence on the coverage. This strong coverage dependence is explained through water-induced reconstruction on anatase TiO2(001)-(1×4). The high intrinsic reactivity of the anatase TiO2(001) surface towards water observed here is fundamentally different from that seen on other surfaces of titania and may explain its high catalytic activity in heterogeneous catalysis and photocatalysis.",
author = "Igor Beinik and Albert Bruix and Zheshen Li and Adamsen, {Kr{\ae}n C.} and Stig Koust and Bj{\o}rk Hammer and Stefan Wendt and Lauritsen, {Jeppe V.}",
year = "2018",
month = nov,
day = "15",
doi = "10.1103/PhysRevLett.121.206003",
language = "English",
volume = "121",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "AMER PHYSICAL SOC",
number = "20",

}

RIS

TY - JOUR

T1 - Water Dissociation and Hydroxyl Ordering on Anatase TiO2 (001)- (1×4)

AU - Beinik, Igor

AU - Bruix, Albert

AU - Li, Zheshen

AU - Adamsen, Kræn C.

AU - Koust, Stig

AU - Hammer, Bjørk

AU - Wendt, Stefan

AU - Lauritsen, Jeppe V.

PY - 2018/11/15

Y1 - 2018/11/15

N2 - We studied the interaction of water with the anatase TiO2(001) surface by means of scanning tunneling microscopy, x-ray photoelectron spectroscopy, and density functional theory calculations. Water adsorbs dissociatively on the ridges of a (1×4) reconstructed surface, resulting in a (3×4) periodic structure of hydroxyl pairs. We observed this process at 120 K, and the created hydroxyls desorb from the surface by recombination to water, which occurs below 300 K. Our calculations reveal the water dissociation mechanism and uncover a very pronounced dependence on the coverage. This strong coverage dependence is explained through water-induced reconstruction on anatase TiO2(001)-(1×4). The high intrinsic reactivity of the anatase TiO2(001) surface towards water observed here is fundamentally different from that seen on other surfaces of titania and may explain its high catalytic activity in heterogeneous catalysis and photocatalysis.

AB - We studied the interaction of water with the anatase TiO2(001) surface by means of scanning tunneling microscopy, x-ray photoelectron spectroscopy, and density functional theory calculations. Water adsorbs dissociatively on the ridges of a (1×4) reconstructed surface, resulting in a (3×4) periodic structure of hydroxyl pairs. We observed this process at 120 K, and the created hydroxyls desorb from the surface by recombination to water, which occurs below 300 K. Our calculations reveal the water dissociation mechanism and uncover a very pronounced dependence on the coverage. This strong coverage dependence is explained through water-induced reconstruction on anatase TiO2(001)-(1×4). The high intrinsic reactivity of the anatase TiO2(001) surface towards water observed here is fundamentally different from that seen on other surfaces of titania and may explain its high catalytic activity in heterogeneous catalysis and photocatalysis.

U2 - 10.1103/PhysRevLett.121.206003

DO - 10.1103/PhysRevLett.121.206003

M3 - Journal article

C2 - 30500259

AN - SCOPUS:85056641766

VL - 121

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 20

M1 - 206003

ER -