Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface

Zhiming Wang; Xianfeng Hao; Stefan Gerhold; Petr Mares; Margareta Wagner; Roland Bliem; Karina Schulte; Michael Schmid; Cesare Franchini; Ulrike Diebold

doi:10.1021/jp506234r

Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface

Zhiming Wang (Corresponding author)
, Xianfeng Hao
, Stefan Gerhold
, Petr Mares
, Margareta Wagner
, Roland Bliem
, Karina Schulte
, Michael Schmid
, Cesare Franchini
, Ulrike Diebold (Corresponding author)

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Abstract

Nickel vapor-deposited on the SrTiO₃(110) surface was studied using scanning tunneling microscopy, photoemission spectroscopy (PES), and density functional theory calculations. This surface forms a (4 × 1) reconstruction, composed of a 2-D titania structure with periodic six- and ten-membered nanopores. Anchored at these nanopores, Ni single adatoms are stabilized at room temperature. PES measurements show that the Ni adatoms create an in-gap state located at 1.9 eV below the conduction band minimum and induce an upward band bending. Both experimental and theoretical results suggest that Ni adatoms are positively charged. Our study produces well-dispersed single-adatom arrays on a well-characterized oxide support, providing a model system to investigate single-adatom catalytic and magnetic properties.

Original language	English
Pages (from-to)	19904-19909
Number of pages	6
Journal	The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces)
Volume	118
Issue number	34
DOIs	https://doi.org/10.1021/jp506234r
Publication status	Published - 28 Aug 2014

Funding

This work was supported by the Austrian Science Fund (FWF) under Project No. F45 and the ERC Advanced Research Grant "OxideSurfaces". R.B. acknowledges support from the Doctoral College "Solids for Function". The computational results presented have been achieved using the Vienna Scientific Cluster (VSC).

Austrian Fields of Science 2012

103009 Solid state physics
103015 Condensed matter
103025 Quantum mechanics
103036 Theoretical physics

Keywords

ELECTRON-GAS
CO OXIDATION
TIO2 SURFACES
ATOM
PERFORMANCE
CATALYSIS
CLUSTERS
METALS

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10.1021/jp506234r

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title = "Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface",

abstract = "Nickel vapor-deposited on the SrTiO3(110) surface was studied using scanning tunneling microscopy, photoemission spectroscopy (PES), and density functional theory calculations. This surface forms a (4 × 1) reconstruction, composed of a 2-D titania structure with periodic six- and ten-membered nanopores. Anchored at these nanopores, Ni single adatoms are stabilized at room temperature. PES measurements show that the Ni adatoms create an in-gap state located at 1.9 eV below the conduction band minimum and induce an upward band bending. Both experimental and theoretical results suggest that Ni adatoms are positively charged. Our study produces well-dispersed single-adatom arrays on a well-characterized oxide support, providing a model system to investigate single-adatom catalytic and magnetic properties.",

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author = "Zhiming Wang and Xianfeng Hao and Stefan Gerhold and Petr Mares and Margareta Wagner and Roland Bliem and Karina Schulte and Michael Schmid and Cesare Franchini and Ulrike Diebold",

year = "2014",

month = aug,

day = "28",

doi = "10.1021/jp506234r",

language = "English",

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Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface. / Wang, Zhiming (Corresponding author); Hao, Xianfeng; Gerhold, Stefan et al.
In: The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), Vol. 118, No. 34, 28.08.2014, p. 19904-19909.

Publications: Contribution to journal › Article › Peer Reviewed

TY - JOUR

T1 - Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface

AU - Wang, Zhiming

AU - Hao, Xianfeng

AU - Gerhold, Stefan

AU - Mares, Petr

AU - Wagner, Margareta

AU - Bliem, Roland

AU - Schulte, Karina

AU - Schmid, Michael

AU - Franchini, Cesare

AU - Diebold, Ulrike

PY - 2014/8/28

Y1 - 2014/8/28

N2 - Nickel vapor-deposited on the SrTiO3(110) surface was studied using scanning tunneling microscopy, photoemission spectroscopy (PES), and density functional theory calculations. This surface forms a (4 × 1) reconstruction, composed of a 2-D titania structure with periodic six- and ten-membered nanopores. Anchored at these nanopores, Ni single adatoms are stabilized at room temperature. PES measurements show that the Ni adatoms create an in-gap state located at 1.9 eV below the conduction band minimum and induce an upward band bending. Both experimental and theoretical results suggest that Ni adatoms are positively charged. Our study produces well-dispersed single-adatom arrays on a well-characterized oxide support, providing a model system to investigate single-adatom catalytic and magnetic properties.

AB - Nickel vapor-deposited on the SrTiO3(110) surface was studied using scanning tunneling microscopy, photoemission spectroscopy (PES), and density functional theory calculations. This surface forms a (4 × 1) reconstruction, composed of a 2-D titania structure with periodic six- and ten-membered nanopores. Anchored at these nanopores, Ni single adatoms are stabilized at room temperature. PES measurements show that the Ni adatoms create an in-gap state located at 1.9 eV below the conduction band minimum and induce an upward band bending. Both experimental and theoretical results suggest that Ni adatoms are positively charged. Our study produces well-dispersed single-adatom arrays on a well-characterized oxide support, providing a model system to investigate single-adatom catalytic and magnetic properties.

KW - ELECTRON-GAS

KW - CO OXIDATION

KW - TIO2 SURFACES

KW - ATOM

KW - PERFORMANCE

KW - CATALYSIS

KW - CLUSTERS

KW - METALS

U2 - 10.1021/jp506234r

DO - 10.1021/jp506234r

M3 - Article

SN - 1932-7447

VL - 118

SP - 19904

EP - 19909

JO - The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces)

JF - The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces)

IS - 34

ER -

Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface

Abstract

Funding

Austrian Fields of Science 2012

Keywords

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