Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

(2016) Christopher M. Caskey et al.   JOURNAL OF CHEMICAL PHYSICS

A fingerprint based metric for measuring similarities of crystalline structures

(2016) Li Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

Sampling Polymorphs of Ionic Solids using Random Superlattices

(2016) Vladan Stevanović   PHYSICAL REVIEW LETTERS

Non-equilibrium alloying controls optoelectronic properties in Cu2O thin films for photovoltaic absorber applications

(2015) A. Zakutayev et al.   APPLIED PHYSICS LETTERS

Anisotropic Anomalies of Thermoelectric Transport Properties and Electronic Structures in Layered Complex Nitrides AMN2 (A = Na, Cu; M = Ta, Nb)

(2015) Isao Ohkubo et al.   CHEMISTRY OF MATERIALS

Synthesis, photocatalytic and antimicrobial properties of SnO2, SnS2 and SnO2/SnS2 nanostructure

(2015) Ali Fakhri et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY

Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds

(2015) Romain Gautier et al.   Nature Chemistry

Self-regulated growth and tunable properties of CuSbS 2 solar absorbers

(2015) Adam W. Welch et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Design of Semiconducting TetrahedralMn1−xZnxOAlloys and Their Application to Solar Water Splitting

(2015) Haowei Peng et al.   Physical Review X

Semiconducting properties of spinel tin nitride and other IV3N4 polymorphs

(2015) Christopher M. Caskey et al.   Journal of Materials Chemistry C

Combinatorial insights into doping control and transport properties of zinc tin nitride

(2015) Angela N. Fioretti et al.   Journal of Materials Chemistry C

Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides

(2014) Andriy Zakutayev et al.   CHEMISTRY OF MATERIALS

High-efficiency photocatalytic activity of type II SnO/Sn3O4 heterostructures via interfacial charge transfer

(2014) Weiwei Xia et al.   CRYSTENGCOMM

All-electron GW quasiparticle band structures of group 14 nitride compounds

(2014) Iek-Heng Chu et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Crystal structure prediction at high pressures

(2014) Yanchao Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Non-equilibrium synthesis, structure, and opto-electronic properties of Cu2−2x Zn x O alloys

(2014) Archana Subramaniyan et al.   JOURNAL OF MATERIALS SCIENCE

Combinatorial screening for new materials in unconstrained composition space with machine learning

(2014) B. Meredig et al.   PHYSICAL REVIEW B

Thin film synthesis and properties of copper nitride, a metastable semiconductor

(2014) Christopher M. Caskey et al.   Materials Horizons

Non-equilibrium deposition of phase pure Cu2O thin films at reduced growth temperature

(2014) Archana Subramaniyan et al.   APL Materials

Structural and Optoelectronic Characterization of RF Sputtered ZnSnN2

(2013) Lise Lahourcade et al.   ADVANCED MATERIALS

Enhancing the efficiency of SnS solar cells via band-offset engineering with a zinc oxysulfide buffer layer

(2013) Prasert Sinsermsuksakul et al.   APPLIED PHYSICS LETTERS

Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

(2013) Andriy Zakutayev et al.   APPLIED PHYSICS LETTERS

Strong optical absorption in CuTaN2 nitride delafossite

(2013) Minghui Yang et al.   Energy & Environmental Science

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

Theoretical Prediction and Experimental Realization of New Stable Inorganic Materials Using the Inverse Design Approach

(2013) Andriy Zakutayev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids

(2013) Tomáš Bučko et al.   PHYSICAL REVIEW B

OrthorhombicABCSemiconductors as Antiferroelectrics

(2013) Joseph W. Bennett et al.   PHYSICAL REVIEW LETTERS

Development and application of an instrument for spatially resolved Seebeck coefficient measurements

(2013) Andriy Zakutayev et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Sorting Stable versus Unstable Hypothetical Compounds: The Case of Multi-Functional ABX Half-Heusler Filled Tetrahedral Structures

(2012) Xiuwen Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Visible-light-driven photocatalytic and photoelectrochemical properties of porous SnSx(x = 1,2) architectures

(2012) Junfeng Chao et al.   CRYSTENGCOMM

A theoretical study of SnF2+, SnCl2+, and SnO2+ and their experimental search

(2012) Ana Paula de Lima Batista et al.   JOURNAL OF CHEMICAL PHYSICS

From the computer to the laboratory: materials discovery and design using first-principles calculations

(2012) Geoffroy Hautier et al.   JOURNAL OF MATERIALS SCIENCE

Prediction ofA2BX4metal-chalcogenide compounds via first-principles thermodynamics

(2012) X. Zhang et al.   PHYSICAL REVIEW B

HexagonalABCSemiconductors as Ferroelectrics

(2012) Joseph W. Bennett et al.   PHYSICAL REVIEW LETTERS

Ambipolar Oxide Thin-Film Transistor

(2011) Kenji Nomura et al.   ADVANCED MATERIALS

Tuning Carbon-Based Fuel Cell Catalyst Support Structures via Nitrogen Functionalization. I. Investigation of Structural and Compositional Modification of Highly Oriented Pyrolytic Graphite Model Catalyst Supports as a Function of Nitrogen Implantation Dose

(2011) Svitlana Pylypenko et al.   Journal of Physical Chemistry C

Ab initiorandom structure searching

(2011) Chris J Pickard et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Guiding the experimental discovery of magnesium alloys

(2011) Richard H. Taylor et al.   PHYSICAL REVIEW B

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

(2011) A. Zakutayev et al.   MRS Communications

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

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

Crystal structure prediction using the minima hopping method

(2010) Maximilian Amsler et al.   JOURNAL OF CHEMICAL PHYSICS

Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena

(2010) Hsin Lin et al.   NATURE MATERIALS

Tunable multifunctional topological insulators in ternary Heusler compounds

(2010) Stanislav Chadov et al.   NATURE MATERIALS

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Room temperature ozone sensing properties of p-type CuCrO2 nanocrystals

(2009) Shu Zhou et al.   SENSORS AND ACTUATORS B-CHEMICAL

Packing of tetrahedral EX4 molecules with E = C, Si, Ge, Sn, Pb and X = F, Cl, Br, I

(2008) Alexandra K. Wolf et al.   CRYSTENGCOMM

Magnetic interactions ofCr−CrandCo−Coimpurity pairs inZnOwithin a band-gap corrected density functional approach

(2008) Stephan Lany et al.   PHYSICAL REVIEW B

XPS analysis of aluminum nitride films deposited by plasma source molecular beam epitaxy

(2008) Leland Rosenberger et al.   SURFACE AND INTERFACE ANALYSIS

Nano-structured CrN/CNx multilayer films deposited by magnetron sputtering

(2007) A VYAS et al.   COMPOSITES SCIENCE AND TECHNOLOGY