The unexpectedly rich reconstructions of rutile TiO2(011)-(2 × 1) surface and the driving forces behind their formation: an ab initio evolutionary study

(2n × 1) Reconstructions of TiO2(011) Revealed by Noncontact Atomic Force Microscopy and Scanning Tunneling Microscopy

(2014) Chi Lun Pang et al.   Journal of Physical Chemistry C

New Reconstructions of the (110) Surface of RutileTiO2Predicted by an Evolutionary Method

(2014) Qinggao Wang et al.   PHYSICAL REVIEW LETTERS

Rational design of all organic polymer dielectrics

(2014) Vinit Sharma et al.   Nature Communications

Evolutionary method for predicting surface reconstructions with variable stoichiometry

(2013) Qiang Zhu et al.   PHYSICAL REVIEW B

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

First-Principles Study on the Initial Oxidization of a Nb(100) Surface

(2012) Qing-Gao Wang et al.   Journal of Physical Chemistry C

Reply to “Comment on `Structure and dynamics of liquid water on rutile TiO2(110)' ”

(2012) Li-Min Liu et al.   PHYSICAL REVIEW B

Comment on “Structure and dynamics of liquid water on rutile TiO2(110)”

(2012) David J. Wesolowski et al.   PHYSICAL REVIEW B

Scanning Tunneling Microscopy Contrast Mechanisms forTiO2

(2012) T. Woolcot et al.   PHYSICAL REVIEW LETTERS

Study of the interaction of formic acid, formaldehyde and formamide with the bulk terminated (1×1) and reconstructed (2×1) surfaces of rutile TiO2(011)

(2012) J.M.R. Muir et al.   SURFACE SCIENCE

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Closing the gap

(2011) Ulrike Diebold   Nature Chemistry

A two-dimensional phase of TiO2 with a reduced bandgap

(2011) Junguang Tao et al.   Nature Chemistry

Structure of the RutileTiO2(011)Surface in an Aqueous Environment

(2011) U. Aschauer et al.   PHYSICAL REVIEW LETTERS

Acidity of the Aqueous Rutile TiO2(110) Surface from Density Functional Theory Based Molecular Dynamics

(2010) Jun Cheng et al.   Journal of Chemical Theory and Computation

Defining the Role of Excess Electrons in the Surface Chemistry of TiO2

(2010) N. Aaron Deskins et al.   Journal of Physical Chemistry C

Structure and dynamics of liquid water on rutileTiO2(110)

(2010) Li-Min Liu et al.   PHYSICAL REVIEW B

Geometric structure of (011)(21) surface by low energy electron diffraction (LEED)

(2009) S.E. Chamberlin et al.   SURFACE SCIENCE

Geometric Structure ofTiO2(011)(2×1)

(2008) X. Torrelles et al.   PHYSICAL REVIEW LETTERS

Interplay between External Strain and Oxygen Vacancies on a RutileTiO2(110)Surface

(2008) Da-Jun Shu et al.   PHYSICAL REVIEW LETTERS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE

The 2×1 reconstruction of the rutile TiO2(011) surface: A combined density functional theory, X-ray diffraction, and scanning tunneling microscopy study

(2008) Xue-Qing Gong et al.   SURFACE SCIENCE