相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。FireWorks: a dynamic workflow system designed for high-throughput applications
Anubhav Jain et al.
CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE (2015)
Material descriptors for predicting thermoelectric performance
Jun Yan et al.
ENERGY & ENVIRONMENTAL SCIENCE (2015)
Charting the complete elastic properties of inorganic crystalline compounds
Maarten de Jong et al.
SCIENTIFIC DATA (2015)
Thermoelectric Properties of the Quaternary Chalcogenides BaCu5.9STe6 and BaCu5.9SeTe6
Mohamed Oudah et al.
INORGANIC CHEMISTRY (2015)
Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study
Jesus Carrete et al.
ADVANCED FUNCTIONAL MATERIALS (2014)
High Thermoelectric Performance in Non-Toxic Earth-Abundant Copper Sulfide
Ying He et al.
ADVANCED MATERIALS (2014)
High-Performance Pseudocubic Thermoelectric Materials from Non-cubic Chalcopyrite Compounds
Jiawei Zhang et al.
ADVANCED MATERIALS (2014)
Band structure engineering through orbital interaction for enhanced thermoelectric power factor
Hong Zhu et al.
APPLIED PHYSICS LETTERS (2014)
Large Thermoelectric Power Factor in Pr-Doped SrTiO3-δ Ceramics via Grain-Boundary-Induced Mobility Enhancement
Arash Mehdizadeh Dehkordi et al.
CHEMISTRY OF MATERIALS (2014)
Chemical Modification and Energetically Favorable Atomic Disorder of a Layered Thermoelectric Material TmCuTe2 Leading to High Performance
Hua Lin et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Tuning bands of PbSe for better thermoelectric efficiency
Heng Wang et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
Sulfide bornite thermoelectric material: a natural mineral with ultralow thermal conductivity
Pengfei Qiu et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
High Thermoelectric Performance of p-Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach
Gangjian Tan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Occupation matrix control of d- and f-electron localisations using DFT plus U
Jeremy P. Allen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Integrated computational materials discovery of silver doped tin sulfide as a thermoelectric material
Chandan Bera et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Band convergence in the non-cubic chalcopyrite compounds Cu2MGeSe4
Wolfgang G. Zeier et al.
JOURNAL OF MATERIALS CHEMISTRY C (2014)
Nanoscale thermal transport. II. 2003-2012
David G. Cahill et al.
APPLIED PHYSICS REVIEWS (2014)
WinCSD: software package for crystallographic calculations (Version 4)
Lev Akselrud et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2014)
Temperature dependent band gap in PbX ( X = S, Se, Te)
Zachary M. Gibbs et al.
APPLIED PHYSICS LETTERS (2013)
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Shyue Ping Ong et al.
COMPUTATIONAL MATERIALS SCIENCE (2013)
All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance
L. D. Zhao et al.
ENERGY & ENVIRONMENTAL SCIENCE (2013)
Improving the Power Factor and the Role of Impurity Bands
H. J. Goldsmid
JOURNAL OF ELECTRONIC MATERIALS (2013)
The high-throughput highway to computational materials design
Stefano Curtarolo et al.
NATURE MATERIALS (2013)
Optical band gap and the Burstein-Moss effect in iodine doped PbTe using diffuse reflectance infrared Fourier transform spectroscopy
Zachary M. Gibbs et al.
NEW JOURNAL OF PHYSICS (2013)
High-throughput study of the structural stability and thermoelectric properties of transition metal silicides
Ingo Opahle et al.
NEW JOURNAL OF PHYSICS (2013)
Data-mined similarity function between material compositions
Lusann Yang et al.
PHYSICAL REVIEW B (2013)
Identification and design principles of low hole effective mass p-type transparent conducting oxides
Geoffroy Hautier et al.
NATURE COMMUNICATIONS (2013)
Evaluating the potential for high thermoelectric efficiency of silver selenide
Tristan Day et al.
JOURNAL OF MATERIALS CHEMISTRY C (2013)
Chalcopyrite CuGaTe2: A High-Efficiency Bulk Thermoelectric Material
Theerayuth Plirdpring et al.
ADVANCED MATERIALS (2012)
Band Engineering of Thermoelectric Materials
Yanzhong Pei et al.
ADVANCED MATERIALS (2012)
Ternary compound CuInTe2: a promising thermoelectric material with diamond-like structure
Ruiheng Liu et al.
CHEMICAL COMMUNICATIONS (2012)
From the computer to the laboratory: materials discovery and design using first-principles calculations
Geoffroy Hautier et al.
JOURNAL OF MATERIALS SCIENCE (2012)
Seebeck and Figure of Merit Enhancement in Nanostructured Antimony Telluride by Antisite Defect Suppression through Sulfur Doping
Rutvik J. Mehta et al.
NANO LETTERS (2012)
High-performance bulk thermoelectrics with all-scale hierarchical architectures
Kanishka Biswas et al.
NATURE (2012)
In silico screening of carbon-capture materials
Li-Chiang Lin et al.
NATURE MATERIALS (2012)
Measurement of the electrical resistivity and Hall coefficient at high temperatures
Kasper A. Borup et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2012)
Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe
Heng Wang et al.
ADVANCED MATERIALS (2011)
Order-Disorder Transition in AgCrSe2: a New Route to Efficient Thermoelectrics
Franck Gascoin et al.
CHEMISTRY OF MATERIALS (2011)
Enhanced Thermoelectric Properties in Zinc Antimonides
Lasse Bjerg et al.
CHEMISTRY OF MATERIALS (2011)
Data Mined Ionic Substitutions for the Discovery of New Compounds
Geoffroy Hautier et al.
INORGANIC CHEMISTRY (2011)
Alloying to increase the band gap for improving thermoelectric properties of Ag2Te
Yanzhong Pei et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
Phonon engineering through crystal chemistry
Eric S. Toberer et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports
Xun Shi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Convergence of electronic bands for high performance bulk thermoelectrics
Yanzhong Pei et al.
NATURE (2011)
Systematics in the optical and electronic properties of the binary lanthanide halide, chalcogenide and pnictide compounds: an overview
E. Rogers et al.
NEW JOURNAL OF PHYSICS (2011)
Rapid consolidation of powdered materials by induction hot pressing
Aaron D. LaLonde et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2011)
A high temperature apparatus for measurement of the Seebeck coefficient
Shiho Iwanaga et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2011)
Oxide 'Thermoelectric Materials: A Nanostructuring Approach
Kunihito Koumoto et al.
ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 40 (2010)
Enhanced Figure-of-Merit in Se-Doped p-Type AgSbTe2 Thermoelectric Compound
Baoli Du et al.
CHEMISTRY OF MATERIALS (2010)
Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations
Shyue Ping Ong et al.
ELECTROCHEMISTRY COMMUNICATIONS (2010)
Opportunities and challenges for first-principles materials design and applications to Li battery materials
Gerbrand Ceder
MRS BULLETIN (2010)
Method for locating low-energy solutions within DFT plus U
B. Meredig et al.
PHYSICAL REVIEW B (2010)
Obtaining correct orbital ground states in f-electron systems using a nonspherical self-interaction-corrected LDA plus U method
Fei Zhou et al.
PHYSICAL REVIEW B (2009)
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
Christoph Freysoldt et al.
PHYSICAL REVIEW LETTERS (2009)
Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
Jiong Yang et al.
ADVANCED FUNCTIONAL MATERIALS (2008)
Enhanced thermoelectric figure of merit in nanostructured n-type silicon germanium bulk alloy
X. W. Wang et al.
APPLIED PHYSICS LETTERS (2008)
Li-Fe-P-O2 phase diagram from first principles calculations
Shyue Ping Ong et al.
CHEMISTRY OF MATERIALS (2008)
Lattice thermal conductivity of group-IV and III-V semiconductor alloys
Sadao Adachi
JOURNAL OF APPLIED PHYSICS (2007)
Crystal structure of the TmAgTe2 compound
L. D. Gulay et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2007)
Recommendations for accurate heat capacity measurements using a Quantum Design physical property measurement system
Catherine A. Kennedy et al.
CRYOGENICS (2007)
Crystal structure of the RAgTe2 (R = Y, Tb, Dy, Ho and Er) compounds
L. D. Gulay et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2006)
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
Jeff Greeley et al.
NATURE MATERIALS (2006)
Automated search for new thermoelectric materials: The case of LiZnSb
Georg K. H. Madsen
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
BoltzTraP. A code for calculating band-structure dependent quantities
Georg K. H. Madsen et al.
COMPUTER PHYSICS COMMUNICATIONS (2006)
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3
MS Toprak et al.
ADVANCED FUNCTIONAL MATERIALS (2004)
Stainless steel optimization from quantum mechanical calculations
L Vitos et al.
NATURE MATERIALS (2003)
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
A Belsky et al.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2002)
Thermoelectric and transport properties of β-Ag2Se compounds
M Ferhat et al.
JOURNAL OF APPLIED PHYSICS (2000)
分享论文
