Uncovering the Complex Behavior of Hydrogen inCu2O

Understanding conductivity anomalies in CuI-based delafossite transparent conducting oxides: Theoretical insights

(2010) David O. Scanlon et al.   JOURNAL OF CHEMICAL PHYSICS

Conductivity Limits in CuAlO2 from Screened-Hybrid Density Functional Theory

(2010) David O. Scanlon et al.   Journal of Physical Chemistry Letters

Advances in computational studies of energy materials

(2010) C. R. A. Catlow et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory

(2010) Jeremy P. Allen et al.   PHYSICAL REVIEW B

A pathway to p-type wide-band-gap semiconductors

(2009) Anderson Janotti et al.   APPLIED PHYSICS LETTERS

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

Ab Initio Studies of Hydrogen Defects in CdTe

(2009) Zs. Rak et al.   JOURNAL OF ELECTRONIC MATERIALS

Annealing effect on the structural, optical, and electrical properties of CuAlO2 films deposited by magnetron sputtering

(2009) W. Lan et al.   JOURNAL OF MATERIALS SCIENCE

Hydrogen interactions with acceptor impurities inSnO2: First-principles calculations

(2009) J. B. Varley et al.   PHYSICAL REVIEW B

Hydrogen in anion vacancies of semiconductors

(2009) Mao-Hua Du et al.   PHYSICAL REVIEW B

Shallow donor state of hydrogen inIn2O3andSnO2: Implications for conductivity in transparent conducting oxides

(2009) P. D. C. King et al.   PHYSICAL REVIEW B

Hydrogen doping in indium oxide: Anab initiostudy

(2009) Sukit Limpijumnong et al.   PHYSICAL REVIEW B

Cu2ZnSnS4as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study

(2009) Joachim Paier et al.   PHYSICAL REVIEW B

Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment

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

Effects of Annealing Temperature on the Properties of Strontium Copper Oxide Prepared by Radio Frequency Reactive Magnetron Sputtering Method

(2008) Jui-wen Liu et al.   MATERIALS TRANSACTIONS

Screened hybrid density functionals for solid-state chemistry and physics

(2008) Benjamin G. Janesko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sources of Electrical Conductivity inSnO2

(2008) Abhishek Kumar Singh et al.   PHYSICAL REVIEW LETTERS