On the possibility of p-type SnO2

The band alignment of Cu2O/ZnO and Cu2O/GaN heterostructures

(2012) B. Kramm et al.   APPLIED PHYSICS LETTERS

Transparent conductive CuFeO2 thin films prepared by sol–gel processing

(2012) Hong-Ying Chen et al.   APPLIED SURFACE SCIENCE

Ultrathin SnO2 Nanosheets: Oriented Attachment Mechanism, Nonstoichiometric Defects, and Enhanced Lithium-Ion Battery Performances

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

Cation off-stoichiometry leads to highp-type conductivity and enhanced transparency in Co2ZnO4and Co2NiO4thin films

(2012) A. Zakutayev et al.   PHYSICAL REVIEW B

Band discontinuities at Si-TCO interfaces from quasiparticle calculations: Comparison of two alignment approaches

(2012) B. Höffling et al.   PHYSICAL REVIEW B

Role of self-trapping in luminescence andp-type conductivity of wide-band-gap oxides

(2012) J. B. Varley et al.   PHYSICAL REVIEW B

Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

(2011) Tula R. Paudel et al.   ADVANCED FUNCTIONAL MATERIALS

XPS study of Sb-/In-doping and surface pinning effects on the Fermi level in SnO2 (101) thin films

(2011) T. Nagata et al.   APPLIED PHYSICS LETTERS

Microscopic origins of electron and hole stability in ZnO

(2011) C. Richard A. Catlow et al.   CHEMICAL COMMUNICATIONS

Optoelectronic properties of Cu1−xPtxFeO2 (0 ≤ x ≤ 0.05) delafossite for p-type transparent conducting oxide

(2011) Chesta Ruttanapun et al.   CURRENT APPLIED PHYSICS

Valence band offset of Cu2O/In2O3 heterojunction determined by X-ray photoelectron spectroscopy

(2011) C. J. Dong et al.   JOURNAL OF APPLIED PHYSICS

Reactive magnetron sputtering of Cu2O: Dependence on oxygen pressure and interface formation with indium tin oxide

(2011) Jonas Deuermeier et al.   JOURNAL OF APPLIED PHYSICS

Understanding the p-type defect chemistry of CuCrO2

(2011) David O. Scanlon et al.   JOURNAL OF MATERIALS CHEMISTRY

Tin Monoxide: Structural Prediction from First Principles Calculations with van der Waals Corrections

(2011) Jeremy P. Allen et al.   Journal of Physical Chemistry C

Analysis of Intrinsic Defects in CeO2 Using a Koopmans-Like GGA+U Approach

(2011) Patrick R. L. Keating et al.   Journal of Physical Chemistry C

Electron and hole stability in GaN and ZnO

(2011) Aron Walsh et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Conductivity in transparent oxide semiconductors

(2011) P D C King et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Band or Polaron: The Hole Conduction Mechanism in the p-Type Spinel Rh2ZnO4

(2011) Arpun R. Nagaraja et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory

(2011) Mario Burbano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Band gap anomalies of the ZnM2IIIO4 (MIII = Co, Rh, Ir) spinels

(2011) David O. Scanlon et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Asymmetric cation nonstoichiometry in spinels: Site occupancy in Co2ZnO4and Rh2ZnO4

(2011) Tula R. Paudel et al.   PHYSICAL REVIEW B

Inverse design approach to hole doping in ternary oxides: Enhancingp-type conductivity in cobalt oxide spinels

(2011) J. D. Perkins et al.   PHYSICAL REVIEW B

Tin dioxide from first principles: Quasiparticle electronic states and optical properties

(2011) A. Schleife et al.   PHYSICAL REVIEW B

Uncovering the Complex Behavior of Hydrogen inCu2O

(2011) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

Nature of the Band Gap and Origin of the Conductivity ofPbO2Revealed by Theory and Experiment

(2011) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

Zn–Ni–Co–O wide-band-gap p-type conductive oxides with high work functions

(2011) A. Zakutayev et al.   MRS Communications

Structural, electrical and optical properties of p-type transparent conducting SnO2:Al film derived from thermal diffusion of Al/SnO2/Al multilayer thin films

(2010) J. Zhao et al.   ACTA MATERIALIA

Oxygen interstitial structures in close-packed metal oxides

(2010) Alexey A. Sokol et al.   CHEMICAL PHYSICS LETTERS

Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology

(2010) Péter Ágoston et al.   JOURNAL OF APPLIED PHYSICS

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

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

Structural and photoluminescence properties of SnO2:Ga films deposited on α-Al2O3 (0001) by MOCVD

(2010) Xuan Pei et al.   JOURNAL OF LUMINESCENCE

Conductivity Limits in CuAlO2 from Screened-Hybrid Density Functional Theory

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

Undoped n-Type Cu2O: Fact or Fiction?

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

Hybrid functional study of proper and improper multiferroics

(2010) A. Stroppa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy

(2010) D. Shin et al.   PHYSICAL REVIEW B

Generalized Koopmans density functional calculations reveal the deep acceptor state ofNOin ZnO

(2010) Stephan Lany et al.   PHYSICAL REVIEW B

Group-V impurities inSnO2from first-principles calculations

(2010) J. B. Varley et al.   PHYSICAL REVIEW B

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

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

Preparation and application in p–n homojunction diode of p-type transparent conducting Ga-doped SnO2 thin films

(2010) Tieying Yang et al.   THIN SOLID FILMS

High temperature excitonic lasing characteristics of randomly assembled SnO2 nanowires

(2009) H. Y. Yang et al.   APPLIED PHYSICS LETTERS

Atomic nitrogen doping and p-type conduction in SnO2

(2009) S. S. Pan et al.   APPLIED PHYSICS LETTERS

Why nitrogen cannot lead to p-type conductivity in ZnO

(2009) J. L. Lyons et al.   APPLIED PHYSICS LETTERS

Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights

(2009) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

(Cu2S2)(Sr3Sc2O5)−A Layered, Direct Band Gap, p-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis.

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

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

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

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

(2009) Kate G. Godinho 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

Towards p-type conductivity in SnO2nanocrystals through Li doping

(2009) Allen Chaparadza et al.   NANOTECHNOLOGY

Mobility enhancement of p-type SnO2by In-Ga co-doping

(2009) Qinan Mao et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Modelling nano-clusters and nucleation

(2009) C. Richard A. Catlow et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Origin of electronic and optical trends in ternaryIn2O3(ZnO)ntransparent conducting oxides(n=1,3,5): Hybrid density functional theory calculations

(2009) Aron Walsh et al.   PHYSICAL REVIEW B

Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional

(2009) A. Stroppa et al.   PHYSICAL REVIEW B

X-ray spectroscopic study of the electronic structure ofCuCrO2

(2009) T. Arnold et al.   PHYSICAL REVIEW B

Hydrogen interactions with acceptor impurities inSnO2: First-principles calculations

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

Unification of the electrical behavior of defects, impurities, and surface states in semiconductors: Virtual gap states in CdO

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

Origin ofp-type conduction in single-crystalCuAlO2

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

Effect of Cr substitution on the electronic structure ofCuAl1−xCrxO2

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

Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors

(2009) Stephan Lany 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

Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment

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

Intrinsicn-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study ofIn2O3,SnO2, and ZnO

(2009) Péter Ágoston et al.   PHYSICAL REVIEW LETTERS

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Effect of Li doping on the structural, optical and electrical properties of spray deposited SnO2 thin films

(2009) D. Paul Joseph et al.   THIN SOLID FILMS

Synthesis and Li-Ion Insertion Properties of Highly Crystalline Mesoporous Rutile TiO2

(2008) Donghai Wang et al.   CHEMISTRY OF MATERIALS

Structures, Physical Properties, and Chemistry of Layered Oxychalcogenides and Oxypnictides

(2008) Simon J. Clarke et al.   INORGANIC CHEMISTRY

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

Molecular Dynamics Study of the Temperature-Dependent Optical Kerr Effect Spectra and Intermolecular Dynamics of Room Temperature Ionic Liquid 1-Methoxyethylpyridinium Dicyanoamide

(2008) Zhonghan Hu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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