In-Gap States in Electronic Structure of Nonpolar Surfaces of Insulating Metal Oxides

Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces

(2013) Alexey V. Akimov et al.   CHEMICAL REVIEWS

Metal Oxides and Oxysalts as Anode Materials for Li Ion Batteries

(2013) M. V. Reddy et al.   CHEMICAL REVIEWS

Paramagnetic Defects in Polycrystalline Zirconia: An EPR and DFT Study

(2013) Chiara Gionco et al.   CHEMISTRY OF MATERIALS

What aboutUon surfaces? Extended Hubbard models for adatom systems from first principles

(2013) Philipp Hansmann et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

An improved density functional theory description of the Ge(100)c(4×2) surface using the MBJLDA xc potential and spin–orbit interactions

(2013) Phillip V Smith et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Oxide Semiconductor Thin-Film Transistors: A Review of Recent Advances

(2012) E. Fortunato et al.   ADVANCED MATERIALS

Recent Advances in Metal Oxide-based Electrode Architecture Design for Electrochemical Energy Storage

(2012) Jian Jiang et al.   ADVANCED MATERIALS

Chemical Bonding and Hybridization in 5p Binary Oxide

(2012) John A. McLeod et al.   Journal of Physical Chemistry C

DFT Study of Hydrogen Adsorption On the Monoclinic WO3 (001) Surface

(2012) Fenggong Wang et al.   Journal of Physical Chemistry C

First-principles calculations of the structural and electronic properties of the cubic CaZrO3 (001) surfaces

(2012) M.G. Brik et al.   SURFACE SCIENCE

Electronic, structural, and optical properties of host materials for inorganic phosphors

(2011) Pere Alemany et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Electronic and Structural Properties of WO3: A Systematic Hybrid DFT Study

(2011) Fenggong Wang et al.   Journal of Physical Chemistry C

Large Surface Dipole Moments in ZnO Nanorods

(2011) S. Dag et al.   NANO LETTERS

Creation and control of a two-dimensional electron liquid at the bare SrTiO3 surface

(2011) W. Meevasana et al.   NATURE MATERIALS

Crystalline Oxides on Silicon

(2010) James W. Reiner et al.   ADVANCED MATERIALS

Mechanisms, Kinetics, and Dynamics of Oxidation and Reactions on Oxide Surfaces Investigated by Scanning Probe Microscopy

(2010) Eric I. Altman et al.   ADVANCED MATERIALS

First-principles study of electronic and optical properties of Pbnm orthorhombic SrHfO3

(2010) Li-ping Feng et al.   COMPUTATIONAL MATERIALS SCIENCE

Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system

(2010) H.E. King et al.   EARTH AND PLANETARY SCIENCE LETTERS

Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory

(2010) Aron Walsh et al.   JOURNAL OF MATERIALS CHEMISTRY

Atomic and electronic structures ofα-Al2O3surfaces

(2010) Takahiro Kurita et al.   PHYSICAL REVIEW B

Bulk and surface properties of Cu2O: A first-principles investigation

(2009) Mazharul M. Islam et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Relative stability of low-index V2O5surfaces: a density functional investigation

(2009) Jakub Goclon et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effect of substituting of S for O: The sulfide perovskiteBaZrS3investigated with density functional theory

(2009) Joseph W. Bennett et al.   PHYSICAL REVIEW B

Structural, electronic and magnetic properties of the surfaces of tetragonal and cubic HfO2

(2008) J I Beltrán et al.   NEW JOURNAL OF PHYSICS

Ab initiocalculations of the atomic and electronic structure ofCaTiO3(001) and (011) surfaces

(2008) R. I. Eglitis et al.   PHYSICAL REVIEW B

Electronic properties and stabilities of bulk and low-index surfaces of SnO in comparison withSnO2: A first-principles density functional approach with an empirical correction of van der Waals interactions

(2008) Yuhua Duan   PHYSICAL REVIEW B

First-principles calculations of atomic and electronic structure ofSrTiO3(001) and (011) surfaces

(2008) R. I. Eglitis et al.   PHYSICAL REVIEW B