Physics of intrinsic point defects in bismuth oxychalcogenides: A first-principles investigation

Ultrathin Semiconducting Bi2Te2S and Bi2Te2Se with High Electron Mobilities

(2018) Bing Wang et al.   Journal of Physical Chemistry Letters

Interaction between helium and intrinsic point defects in 3C-SiC single crystal

(2017) Dan Sun et al.   JOURNAL OF APPLIED PHYSICS

Investigation of intrinsic defect magnetic properties in wurtzite ZnO materials

(2017) A.S. Fedorov et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Descriptor-Based Approach for the Prediction of Cation Vacancy Formation Energies and Transition Levels

(2017) Joel B. Varley et al.   Journal of Physical Chemistry Letters

Intrinsic Defect Physics in Indium-based Lead-free Halide Double Perovskites

(2017) Jian Xu et al.   Journal of Physical Chemistry Letters

Metal Halide Perovskites as Mixed Electronic–Ionic Conductors: Challenges and Opportunities—From Hysteresis to Memristivity

(2017) Wolfgang Tress   Journal of Physical Chemistry Letters

Bismuth Oxychalcogenides: A New Class of Ferroelectric/Ferroelastic Materials with Ultra High Mobility

(2017) Menghao Wu et al.   NANO LETTERS

Controlled Synthesis of High-Mobility Atomically Thin Bismuth Oxyselenide Crystals

(2017) Jinxiong Wu et al.   NANO LETTERS

High electron mobility and quantum oscillations in non-encapsulated ultrathin semiconducting Bi2O2Se

(2017) Jinxiong Wu et al.   Nature Nanotechnology

First-Principles Calculations of Quantum Efficiency for Point Defects in Semiconductors: The Example of Yellow Luminance by GaN: CN +ON and GaN:CN

(2017) Hai-Shan Zhang et al.   Advanced Optical Materials

Effects of negative response of electron transport to thermoelectric properties of Bi2O2Se

(2016) Monrudee Liangruksa   COMPUTATIONAL MATERIALS SCIENCE

Synthesis and characterization Bi2O2S thin film via chemical bath deposition at low pH

(2016) İ. Afşin KARİPER   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Thermal Decomposition of Bismuth Oxysulfide from Photoelectric Bi2O2S to Superconducting Bi4O4S3

(2015) Xian Zhang et al.   ACS Applied Materials & Interfaces

Recent Advances in Two-Dimensional Materials beyond Graphene

(2015) Ganesh R. Bhimanapati et al.   ACS Nano

Density Functional Calculations of Native Defects in CH3NH3PbI3: Effects of Spin–Orbit Coupling and Self-Interaction Error

(2015) Mao-Hua Du   Journal of Physical Chemistry Letters

Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te

(2015) Son D.N. Luu et al.   JOURNAL OF SOLID STATE CHEMISTRY

Effects of Crystal Growth Methods on Deep-Level Defects and Electrical Properties of CdZnTe:In Crystals

(2014) Lingyan Xu et al.   JOURNAL OF ELECTRONIC MATERIALS

First-principles study of point defects in chalcopyriteZnSnP2

(2014) Yu Kumagai et al.   PHYSICAL REVIEW B

Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers

(2014) Federico Brivio et al.   PHYSICAL REVIEW B

First-principles calculations for point defects in solids

(2014) Christoph Freysoldt et al.   REVIEWS OF MODERN PHYSICS

Fabrication of an oxysulfide of bismuth Bi2O2S and its photocatalytic activity in a Bi2O2S/In2O3 composite

(2013) Adele L. Pacquette et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Liquid Exfoliation of Layered Materials

(2013) V. Nicolosi et al.   SCIENCE

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Conduction band caused by oxygen vacancies in aluminum oxide for resistance random access memory

(2012) Seisuke Nigo et al.   JOURNAL OF APPLIED PHYSICS

Preparation and Transport Properties of Bi2O2Se Single Crystals

(2012) C. Drasar et al.   JOURNAL OF ELECTRONIC MATERIALS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

(2008) Stephan Lany et al.   PHYSICAL REVIEW B