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|
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|
February 2004 |
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|
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|
February 2008 |
n -type doping of CuIn Se 2 and CuGa Se 2
|
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|
July 2005 |
High-Efficiency Solar Cell with Earth-Abundant Liquid-Processed Absorber
|
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|
May 2010 |
Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
|
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|
November 2010 |
Intrinsic stoichiometry and oxygen-induced p -type conductivity of pyrite FeS 2
|
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|
July 2011 |
Feasibility of band gap engineering of pyrite FeS 2
|
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|
December 2011 |
The Consequences of Kesterite Equilibria for Efficient Solar Cells
|
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|
March 2011 |
Control of Doping in Cu 2 SnS 3 through Defects and Alloying
|
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|
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Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite
|
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December 2016 |
Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells
|
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|
March 2016 |
Superconductivity in Layered Structure Organometallic Crystals
|
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|
May 1970 |
Band Structures of Transition-Metal-Dichalcogenide Layer Compounds
|
journal
|
October 1973 |
The stoichiometry of FeSe
|
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|
October 2009 |
Chemistry of intercalation compounds: Metal guests in chalcogenide hosts
|
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|
January 1978 |
New Insight on the Unusually High Ionic Mobility in Chevrel Phases
|
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|
April 2009 |
A lithium superionic conductor
|
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|
July 2011 |
Phase stability, electrochemical stability and ionic conductivity of the Li 10±1 MP 2 X 12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors
|
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|
January 2013 |
Design principles for solid-state lithium superionic conductors
|
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|
August 2015 |
Quantum dot solar cells
|
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|
April 2002 |
Color-selective semiconductor nanocrystal laser
|
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|
June 2002 |
PbSe Nanocrystal Solids for n- and p-Channel Thin Film Field-Effect Transistors
|
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|
October 2005 |
Quantum Dot Light-Emitting Devices with Electroluminescence Tunable over the Entire Visible Spectrum
|
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|
July 2009 |
Large-area luminescent solar concentrators based on ‘Stokes-shift-engineered’ nanocrystals in a mass-polymerized PMMA matrix
|
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|
April 2014 |
Low-carrier-concentration crystals of the topological insulator Bi 2 Te 2 Se
|
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|
December 2011 |
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
|
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|
April 2013 |
Oxygen-Vacancy-Induced Midgap States Responsible for the Fluorescence and the Long-Lasting Phosphorescence of the Inverse Spinel Mg(Mg,Sn)O 4
|
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|
January 2017 |
Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO 3
|
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|
November 2016 |
Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges
|
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|
February 2017 |
First-principles calculations for point defects in solids
|
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|
March 2014 |
Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion
|
journal
|
October 1991 |
First-principles study of phosphorus and nitrogen impurities in ZnSe
|
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|
October 1995 |
First-principles calculations for defects and impurities: Applications to III-nitrides
|
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|
April 2004 |
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
|
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|
January 2009 |
Electrostatic interactions between charged defects in supercells
|
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|
December 2010 |
Finite-size supercell correction schemes for charged defect calculations
|
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|
July 2012 |
The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method
|
journal
|
February 1985 |
Periodic boundary conditions in ab initio calculations
|
journal
|
February 1995 |
Electronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substrate
|
journal
|
January 1995 |
Charged Local Defects in Extended Systems
|
journal
|
February 2000 |
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
|
journal
|
December 2008 |
Inhomogeneous Electron Gas
|
journal
|
November 1964 |
Self-Consistent Equations Including Exchange and Correlation Effects
|
journal
|
November 1965 |
Generalized Gradient Approximation Made Simple
|
journal
|
October 1996 |
Ab initiomolecular dynamics for liquid metals
|
journal
|
January 1993 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
|
journal
|
October 1996 |
Projector augmented-wave method
|
journal
|
December 1994 |
From ultrasoft pseudopotentials to the projector augmented-wave method
|
journal
|
January 1999 |
Special points for Brillouin-zone integrations
|
journal
|
June 1976 |
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
|
journal
|
February 2013 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
|
journal
|
July 2013 |
Hybrid functionals based on a screened Coulomb potential
|
journal
|
May 2003 |
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
|
journal
|
June 2006 |
Reproducibility in density functional theory calculations of solids
|
journal
|
March 2016 |
Density-Functional Theory of Excitation Spectra of Semiconductors: Application to Si
|
journal
|
August 1983 |
Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds
|
journal
|
August 2010 |
Three different methods of determining the cation distribution in spinels: A comparison
|
journal
|
November 1979 |
A review of electron spin spectroscopy and its application to the study of paramagnetic defects in crystalline quartz
|
journal
|
March 1984 |
Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light
|
journal
|
December 2006 |
Optical and Electrical Properties of Inverse Spinel Compound MgIn 2 S 4
|
journal
|
January 1980 |
First-Principles Studies on Cation Dopants and Electrolyte|Cathode Interphases for Lithium Garnets
|
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|
May 2015 |
A solid future for battery development
|
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|
September 2016 |
High-power all-solid-state batteries using sulfide superionic conductors
|
journal
|
March 2016 |
The Theoretical Prediction of the Physical Properties of Many-Electron Atoms and Ions. Mole Refraction, Diamagnetic Susceptibility, and Extension in Space
|
journal
|
March 1927 |
Factors influencing solid-state structure—an analysis using pseudopotential radii structural maps
|
journal
|
September 1981 |
Role of the crystal-field theory in determining the structures of spinels
|
journal
|
January 1982 |
Structure of Spinel
|
journal
|
December 1999 |
Diagrammatic Separation of Different Crystal Structures of A2BX4 Compounds Without Energy Minimization: A Pseudopotential Orbital Radii Approach
|
journal
|
May 2010 |
Screened hybrid and self-consistent GW calculations of cadmium/magnesium indium sulfide materials
|
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|
May 2011 |
Simple Point-Ion Electrostatic Model Explains the Cation Distribution in Spinel Oxides
|
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|
August 2010 |
Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides
|
journal
|
October 2011 |
Universal Electrostatic Origin of Cation Ordering in A 2 BO 4 Spinel Oxides
|
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|
August 2011 |
First-principles investigations into the thermodynamics of cation disorder and its impact on electronic structure and magnetic properties of spinel Co(Cr 1– x Mn x ) 2 O 4
|
journal
|
December 2016 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
|
journal
|
September 1976 |
Influence of Inversion on Mg Mobility and Electrochemistry in Spinels
|
journal
|
September 2017 |
Oxygen-Vacancy-Induced Midgap States Responsible for the Fluorescence and the Long-Lasting Phosphorescence of the Inverse Spinel Mg(Mg,Sn)O 4
|
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January 2017 |
Complex thermoelectric materials
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February 2008 |
Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells
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March 2016 |
The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method
|
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|
February 1985 |
Reproducibility in density functional theory calculations of solids
|
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|
March 2016 |
PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators
|
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