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

Defect Tolerant Semiconductors for Solar Energy Conversion

(2014) Andriy Zakutayev et al.   Journal of Physical Chemistry Letters

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

(2014) Archana Subramaniyan et al.   APL Materials

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

Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials

(2013) Martin L. Green et al.   JOURNAL OF APPLIED PHYSICS

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

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

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

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

Electronic structure of copper nitrides as a function of nitrogen content

(2013) N. Gordillo et al.   THIN SOLID FILMS

Mind the gap!

(2013) Jean-Luc Bredas   Materials Horizons

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

Structural, Optical, and Transport Properties of α- and β-Ag3VO4

(2012) V. Cloet et al.   CHEMISTRY OF MATERIALS

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

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

A hybrid computational–experimental approach for automated crystal structure solution

(2012) Bryce Meredig et al.   NATURE MATERIALS

Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies

(2012) Vladan Stevanović et al.   PHYSICAL REVIEW B

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

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

Reactive DC magnetron sputter deposited copper nitride nano-crystalline thin films: Growth and characterization

(2011) F. Hadian et al.   VACUUM

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

(2011) A. Zakutayev et al.   MRS Communications

A novel anode material of antimony nitride for rechargeable lithium batteries

(2009) Qian Sun et al.   SOLID STATE SCIENCES

DC triode sputtering deposition and characterization of N-rich copper nitride thin films: Role of chemical composition

(2008) N. Gordillo et al.   JOURNAL OF CRYSTAL GROWTH

Semiconductor thermochemistry in density functional calculations

(2008) Stephan Lany   PHYSICAL REVIEW B