Understanding the defect chemistry of tin monoxide

Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory

(2013) N. F. Quackenbush et al.   CHEMISTRY OF MATERIALS

Electronic Structures of Antimony Oxides

(2013) Jeremy P. Allen et al.   Journal of Physical Chemistry C

van der Waals bonding and the quasiparticle band structure of SnO from first principles

(2013) Kirsten Govaerts et al.   PHYSICAL REVIEW B

Ambipolar inverters using SnO thin-film transistors with balanced electron and hole mobilities

(2012) Ling Yan Liang et al.   APPLIED PHYSICS LETTERS

Solution-processed oxide semiconductor SnO in p-channel thin-film transistors

(2012) Koshi Okamura et al.   JOURNAL OF MATERIALS CHEMISTRY

On the possibility of p-type SnO2

(2012) David O. Scanlon et al.   JOURNAL OF MATERIALS CHEMISTRY

Geometry, Electronic Structure, and Bonding in CuMCh2(M = Sb, Bi; Ch = S, Se): Alternative Solar Cell Absorber Materials?

(2012) Douglas J. Temple et al.   Journal of Physical Chemistry C

The structural, optical and electrical properties of Y-doped SnO thin films and their p-type TFT application

(2012) Ling Yan Liang et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Role of lone pair electrons in determining the optoelectronic properties of BiCuOSe

(2012) S. Sallis 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

Ambipolar Oxide Thin-Film Transistor

(2011) Kenji Nomura et al.   ADVANCED MATERIALS

The nature of electron lone pairs in BiVO4

(2011) D. J. Payne et al.   APPLIED PHYSICS LETTERS

Microscopic origins of electron and hole stability in ZnO

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

Stereochemistry of post-transition metal oxides: revision of the classical lone pair model

(2011) Aron Walsh et al.   CHEMICAL SOCIETY REVIEWS

Role of Lattice Distortions in the Oxygen Storage Capacity of Divalently Doped CeO2

(2011) Aoife B. Kehoe et al.   CHEMISTRY OF MATERIALS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Understanding the p-type defect chemistry of CuCrO2

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

Electrical Transport Properties of SnO under High Pressure

(2011) Junkai Zhang et al.   Journal of Physical Chemistry C

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

Chemical bonding in copper-based transparent conducting oxides: CuMO2(M = In, Ga, Sc)

(2011) K G Godinho et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogenated cation vacancies in semiconducting oxides

(2011) J B Varley et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

The origin of the enhanced oxygen storage capacity of Ce1−x(Pd/Pt)xO2

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

Comparison of the defective pyrochlore and ilmenite polymorphs of AgSbO3using GGA and hybrid DFT

(2011) Jeremy P. Allen et al.   PHYSICAL REVIEW B

Electronic structures of silver oxides

(2011) Jeremy P. Allen et al.   PHYSICAL REVIEW B

Uncovering the Complex Behavior of Hydrogen inCu2O

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

Point defects in ZnO: an approach from first principles

(2011) Fumiyasu Oba et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Microstructural, Optical, and Electrical Properties of SnO Thin Films Prepared on Quartz via a Two-Step Method

(2010) Ling Yan Liang et al.   ACS Applied Materials & Interfaces

Stability, geometry, and electronic structure of an alternative I-III-VI2 material, CuScS2: A hybrid density functional theory analysis

(2010) David O. Scanlon et al.   APPLIED PHYSICS LETTERS

Three-dimensionally stacked flexible integrated circuit: Amorphous oxide/polymer hybrid complementary inverter using n-type a-In–Ga–Zn–O and p-type poly-(9,9-dioctylfluorene-co-bithiophene) thin-film transistors

(2010) Kenji Nomura et al.   APPLIED PHYSICS LETTERS

Microstructure, optical, and electrical properties of p-type SnO thin films

(2010) W. Guo et al.   APPLIED PHYSICS LETTERS

Sputtering formation of p-type SnO thin-film transistors on glass toward oxide complimentary circuits

(2010) Hisato Yabuta et al.   APPLIED PHYSICS LETTERS

First-principles calculations of structural, electronic and optical properties of tetragonal SnO2 and SnO

(2010) Qi-Jun Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Bipolar Conduction in SnO Thin Films

(2010) Hideo Hosono et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

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

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

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical and Experimental Study of the Electronic Structures of MoO3and MoO2

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

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

Native defects in oxide semiconductors: a density functional approach

(2010) Fumiyasu Oba et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Phase and Optical Characterizations of Annealed SnO Thin Films and Their p-Type TFT Application

(2010) Ling Yan Liang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

LDA + U and hybrid functional calculations for defects in ZnO, SnO2, and TiO2

(2010) Anderson Janotti et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

Group-V impurities inSnO2from first-principles calculations

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

Role of van der Waals bonding in the layered oxideV2O5: First-principles density-functional calculations

(2010) Elisa Londero 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

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

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

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

Tin monoxide as an s-orbital-based p-type oxide semiconductor: Electronic structures and TFT application

(2009) Yoichi Ogo et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

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

Polaronic trapping of electrons and holes by native defects in anataseTiO2

(2009) Benjamin J. Morgan et al.   PHYSICAL REVIEW B

Hydrogen interactions with acceptor impurities inSnO2: First-principles calculations

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

Effect of Cr substitution on the electronic structure ofCuAl1−xCrxO2

(2009) David O. Scanlon 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

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Organic/inorganic hybrid complementary circuits based on pentacene and amorphous indium gallium zinc oxide transistors

(2008) Jong H. Na et al.   APPLIED PHYSICS LETTERS

p-channel thin-film transistor using p-type oxide semiconductor, SnO

(2008) Yoichi Ogo et al.   APPLIED PHYSICS LETTERS

Preparation and Crystal Structures of Bismuth Technetates: A New Metal Oxide System

(2008) Efrain E. Rodriguez 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

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

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory

(2008) L. E. Ramos 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

Origins of band-gap renormalization in degenerately doped semiconductors

(2008) Aron Walsh et al.   PHYSICAL REVIEW B

Dielectric properties and excitons for extended systems from hybrid functionals

(2008) Joachim Paier et al.   PHYSICAL REVIEW B

Sources of Electrical Conductivity inSnO2

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

Crystal Structures, Optoelectronic Properties, and Electronic Structures of Layered OxychalcogenidesMCuOCh(M= Bi, La;Ch= S, Se, Te): Effects of Electronic Configurations ofM3+Ions

(2007) Hidenori Hiramatsu et al.   CHEMISTRY OF MATERIALS