Expanding frontiers in materials chemistry and physics with multiple anions
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February 2018 |
Anion Ordering in CaTaO 2 N: Structural Impact on the Photocatalytic Activity. Insights from First-Principles
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January 2017 |
Ba2TeO: A new layered oxytelluride
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February 2015 |
Valence Band Engineering of Layered Bismuth Oxyhalides toward Stable Visible-Light Water Splitting: Madelung Site Potential Analysis
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December 2017 |
Oxysulfides and oxyselenides in sheets, formed by a rare earth element and a second metal
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February 1984 |
Structures, Physical Properties, and Chemistry of Layered Oxychalcogenides and Oxypnictides
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October 2008 |
Heteroanionic Materials by Design: Progress Toward Targeted Properties
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March 2019 |
Materials with ZrCuSiAs-type Structure
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October 2008 |
Opto-electronic properties and light-emitting device application of widegap layered oxychalcogenides: LaCuO Ch ( Ch = chalcogen) and La 2 CdO 2 Se 2
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September 2006 |
Layered oxychalcogenides: Structural chemistry and thermoelectric properties
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June 2016 |
New Layered Compounds with the General Composition (MO) (CuSe), Where M = Bi, Nd, Gd, Dy, and BiOCuS: Syntheses and Crystal Structure
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September 1994 |
Powder X-Ray and IR Studies of the New Oxyselenides MOCuSe (M = Bi, Gd, Dy)
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August 1995 |
Crystal Structures, Optoelectronic Properties, and Electronic Structures of Layered Oxychalcogenides M CuO Ch ( M = Bi, La; Ch = S, Se, Te): Effects of Electronic Configurations of M 3+ Ions
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January 2008 |
Bi1−xSrxCuSeO oxyselenides as promising thermoelectric materials
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August 2010 |
BiCuSeO oxyselenides: new promising thermoelectric materials
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January 2014 |
Promising Thermoelectric Bulk Materials with 2D Structures
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July 2017 |
BiCuSeO Thermoelectrics: An Update on Recent Progress and Perspective
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February 2017 |
Temperature Driven Reactant Solubilization Synthesis of BiCuOSe
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October 2008 |
Antiferromagnetic Semiconductor BaFMn 0.5 Te with Unique Mn Ordering and Red Photoluminescence
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October 2019 |
Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis
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January 2017 |
In situ studies of a platform for metastable inorganic crystal growth and materials discovery
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July 2014 |
Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case
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July 2017 |
Mechanistic insight of KBiQ 2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design
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January 2021 |
Structural Diversity from Anion Order in Heteroanionic Materials
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April 2018 |
Principles and Applications of Anion Order in Solid Oxynitrides
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August 2013 |
In situ identification of kinetic factors that expedite inorganic crystal formation and discovery
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January 2017 |
The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides
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May 2020 |
Similarity of Precursors in Solid-State Synthesis as Text-Mined from Scientific Literature
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August 2020 |
Machine-learning-assisted materials discovery using failed experiments
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May 2016 |
Text-mined dataset of inorganic materials synthesis recipes
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October 2019 |
A versatile sample-environment cell for non-ambient X-ray scattering experiments
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July 2008 |
GSAS-II : the genesis of a modern open-source all purpose crystallography software package
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March 2013 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Projector augmented-wave method
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December 1994 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
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September 2013 |
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
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December 2015 |
The quickhull algorithm for convex hulls
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December 1996 |
First-Principles Determination of Multicomponent Hydride Phase Diagrams: Application to the Li-Mg-N-H System
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September 2007 |
First principles phonon calculations in materials science
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November 2015 |
Dual Vacancies: An Effective Strategy Realizing Synergistic Optimization of Thermoelectric Property in BiCuSeO
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May 2015 |
Synergistically Optimizing Electrical and Thermal Transport Properties of BiCuSeO via a Dual-Doping Approach
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February 2016 |
Manipulating the Combustion Wave during Self-Propagating Synthesis for High Thermoelectric Performance of Layered Oxychalcogenide Bi 1– x Pb x CuSeO
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June 2016 |
Complex electronic structure and compositing effect in high performance thermoelectric BiCuSeO
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June 2019 |
Synthesis, structure, and optical properties of BiCuOCh (Ch=S, Se, and Te)
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March 2012 |
Crystal structure of Cu2Se
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January 2011 |
Single crystal neutron diffraction analysis of the cation distribution in the high-temperature phases $alpha;-Cu2$minus;xS, $alpha;-Cu2$minus;xSe, and $alpha;-Ag2Se
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September 1988 |
Phase transition enhanced thermoelectric figure-of-merit in copper chalcogenides
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November 2013 |
Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer
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June 2011 |
Negative Thermal Expansion from 0.3 to 1050 Kelvin in ZrW2O8
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April 1996 |
The widespread occurrence of negative thermal expansion in zeolites
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January 2001 |
Strong negative thermal expansion in siliceous faujasite
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January 1998 |
Giant negative thermal expansion in Ge-doped anti-perovskite manganese nitrides
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December 2005 |
Control of Uniaxial Negative Thermal Expansion in Layered Perovskites by Tuning Layer Thickness
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October 2018 |
Comparative study of phonon spectrum and thermal expansion of graphene, silicene, germanene, and blue phosphorene
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October 2016 |
Large Magnetostriction and Negative Thermal Expansion in the Frustrated Antiferromagnet ZnCr 2 Se 4
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April 2007 |
Critical magnetic behavior of ferromagnetic CdCr 2 S 4
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October 2013 |
Negative thermal expansion in functional materials: controllable thermal expansion by chemical modifications
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January 2015 |
Die Kristallstruktur des monoklinen ?-Bi2O3
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March 1940 |
Pyrite Formation via Kinetic Intermediates through Low-Temperature Solid-State Metathesis
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October 2014 |
Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3 Polymorphs
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August 2020 |