(2×1) Reconstruction Mechanism of Rutile TiO2(011) Surface

M Jia, J Chen, H Wang - ACS nano, 2023 - ACS Publications
Understanding the reconstruction kinetics of solid surfaces involving an ensemble of atomic
movements is practically important but challenging due to the complexity of high …

The unexpectedly rich reconstructions of rutile TiO 2 (011)-(2× 1) surface and the driving forces behind their formation: an ab initio evolutionary study

Q Wang, AR Oganov, OD Feya, Q Zhu… - Physical Chemistry …, 2016 - pubs.rsc.org
In this paper, we employ state-of-the-art theoretical approaches to elucidate the structures of
the (011) surface of rutile (R-) TiO2. An unexpectedly rich chemistry has been uncovered …

Monolayer Intermixed Oxide Surfaces: Fe, Ni, Cr, and V Oxides on Rutile TiO2(011)

S Halpegamage, ZH Wen, XQ Gong… - The Journal of Physical …, 2016 - ACS Publications
The oxide/oxide interface for monolayer oxides on rutile TiO2 (011) substrates is
investigated for several transition metal (M) oxides, with M= Fe, Ni, Cr, and V. The samples …

Imaging the TiO2(011)-(2 × 1) Surface using Noncontact Atomic Force Microscopy and Scanning Tunneling Microscopy

A Yurtsever, J Onoda, M Abe, CL Pang… - The Journal of …, 2016 - ACS Publications
We have used noncontact atomic force microscopy (NC-AFM) and scanning tunneling
microscopy (STM) to study the rutile TiO2 (011)-(2× 1) surface. NC-AFM images were …

Structure of (011) revealed by photoelectron diffraction

C Dupont, S Bourgeois, P Le Fèvre, A Verdini… - Physical Review B, 2016 - APS
The combination of photoelectron diffraction, density functional theory, and multiple
scattering calculations is used for a quantitative analysis of the widely debated structure of …

Electronic structures of rutile (011)(2× 1) surfaces: A many-body perturbation theory study

G Liu, T Chen, X Liu, F Jin, S Yuan, Y Ma - The Journal of Chemical …, 2017 - pubs.aip.org
Using the GW method within many-body perturbation theory, we investigate the electronic
properties of the rutile (011) surfaces with different reconstruction patterns. We find that …

Fe (II) Ti (IV) O3 mixed oxide monolayer at rutile TiO2 (011): Structures and reactivities

ZH Wen, S Halpegamage, XQ Gong, M Batzill - Surface Science, 2016 - Elsevier
Mixed-metal oxide monolayer grown at an oxide support is of great potential in applications
like heterogeneous catalysis. In this work, the experimentally obtained ordered mixed FeTiO …

Locating structures and evolution pathways of reconstructed rutile TiO2(011) using genetic algorithm aided density functional theory calculations

P Ding, XQ Gong - Journal of molecular modeling, 2016 - Springer
Titanium dioxide (TiO 2) is an important metal oxide that has been used in many different
applications. TiO 2 has also been widely employed as a model system to study basic …

17–22 Jun 2018 Europe/Zurich timezone

M Llorente - Europe, 2018 - indico.cern.ch
Titanium dioxide is a metal oxide with many relevant technological properties for
photocatalysis, chemical reactivity, electrical conductivity and solar energy harvesting. TiO2 …

Aryl–Aryl Covalent Coupling on Rutile TiO2 Surfaces

M Kolmer, JS Prauzner-Bechcicki - On-Surface Synthesis II: Proceedings of …, 2018 - Springer
In recent years, enormous progress has been made in developing bottom-up strategies
based on the polymerization of specially designed building blocks directly on a supporting …