Understanding conductivity in SrCu2O2: stability, geometry and electronic structure of intrinsic defects from first principles

Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals

(2009) Aron Walsh et al.   CHEMISTRY OF MATERIALS

Modeling the polaronic nature of p-type defects in Cu2O: The failure of GGA and GGA+U

(2009) David O. Scanlon et al.   JOURNAL OF CHEMICAL PHYSICS

Small polarons in Nb- and Ta-doped rutile and anatase TiO2

(2009) Benjamin J. Morgan et al.   JOURNAL OF MATERIALS CHEMISTRY

Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2

(2009) Kate G. Godinho et al.   Journal of Physical Chemistry C

Reactivity on the (110) Surface of Ceria: A GGA+U Study of Surface Reduction and the Adsorption of CO and NO2

(2009) David O. Scanlon et al.   Journal of Physical Chemistry C

Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment

(2009) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

First-Principles Study of Defects in CuGaO2

(2008) Fang Zhi-Jie et al.   CHINESE PHYSICS LETTERS

A comparative study of the electronic structures of SrCu2O2 and PbCu2O2 by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy

(2008) K. G. Godinho et al.   JOURNAL OF MATERIALS CHEMISTRY

Electronic, Energetic, and Chemical Effects of Intrinsic Defects and Fe-Doping of CoAl2O4: A DFT+U Study

(2008) Aron Walsh et al.   Journal of Physical Chemistry C

An ab initio Study of Reduction of V2O5 through the Formation of Oxygen Vacancies and Li Intercalation

(2008) David O. Scanlon et al.   Journal of Physical Chemistry C

Nature of the Band Gap ofIn2O3Revealed by First-Principles Calculations and X-Ray Spectroscopy

(2008) Aron Walsh et al.   PHYSICAL REVIEW LETTERS

Defects in Cu2O, CuAlO2 and SrCu2O2 transparent conducting oxides

(2008) Michael Nolan   THIN SOLID FILMS

Preparation and characterization of sol–gel derived copper–strontium–oxide thin films

(2007) B. Roy et al.   THIN SOLID FILMS

Substitution of transparent conducting oxide thin films for indium tin oxide transparent electrode applications

(2007) Tadatsugu Minami   THIN SOLID FILMS