标题
Computational materials design of crystalline solids
作者
关键词
-
出版物
CHEMICAL SOCIETY REVIEWS
Volume 45, Issue 22, Pages 6138-6146
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-03-18
DOI
10.1039/c5cs00841g
参考文献
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。- Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination
- (2015) John Buckeridge et al. CHEMISTRY OF MATERIALS
- Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
- (2015) Olexandr Isayev et al. CHEMISTRY OF MATERIALS
- Material descriptors for predicting thermoelectric performance
- (2015) Jun Yan et al. Energy & Environmental Science
- Ferroelectric materials for solar energy conversion: photoferroics revisited
- (2015) Keith T. Butler et al. Energy & Environmental Science
- (CH3NH3)2Pb(SCN)2I2: A More Stable Structural Motif for Hybrid Halide Photovoltaics?
- (2015) Alex M. Ganose et al. Journal of Physical Chemistry Letters
- The quest for new functionality
- (2015) Aron Walsh Nature Chemistry
- Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds
- (2015) Romain Gautier et al. Nature Chemistry
- Distributions of phonon lifetimes in Brillouin zones
- (2015) Atsushi Togo et al. PHYSICAL REVIEW B
- An extended Tolerance Factor approach for organic–inorganic perovskites
- (2015) Gregor Kieslich et al. Chemical Science
- Ionic transport in hybrid lead iodide perovskite solar cells
- (2015) Christopher Eames et al. Nature Communications
- Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites
- (2015) Riley E. Brandt et al. MRS Communications
- Vibrational spectra and lattice thermal conductivity of kesterite-structured Cu2ZnSnS4 and Cu2ZnSnSe4
- (2015) Jonathan M. Skelton et al. APL Materials
- Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces
- (2014) Daniel E. E. Deacon-Smith et al. ADVANCED MATERIALS
- Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides
- (2014) Andriy Zakutayev et al. CHEMISTRY OF MATERIALS
- Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
- (2014) Li-Dong Zhao et al. NATURE
- Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
- (2014) Jonathan M. Skelton et al. PHYSICAL REVIEW B
- In situ studies of a platform for metastable inorganic crystal growth and materials discovery
- (2014) D. P. Shoemaker et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
- (2014) Alexander Urban et al. Advanced Energy Materials
- Abinitio thermodynamic model of Cu2ZnSnS4
- (2014) Adam J. Jackson et al. Journal of Materials Chemistry A
- Bandgap calculations and trends of organometal halide perovskites
- (2014) Ivano E. Castelli et al. APL Materials
- Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells
- (2014) Jarvist M. Frost et al. APL Materials
- Li-Doped Cr2MnO4: A New p-Type Transparent Conducting Oxide by Computational Materials Design
- (2013) Haowei Peng et al. ADVANCED FUNCTIONAL MATERIALS
- Theoretical Photovoltaic Conversion Efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2Alloys
- (2013) Tomoyasu Yokoyama et al. Applied Physics Express
- Performance of genetic algorithms in search for water splitting perovskites
- (2013) Anubhav Jain et al. JOURNAL OF MATERIALS SCIENCE
- 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
- Unexpected Stable Stoichiometries of Sodium Chlorides
- (2013) W. Zhang et al. SCIENCE
- Identification and design principles of low hole effective mass p-type transparent conducting oxides
- (2013) Geoffroy Hautier et al. Nature Communications
- Device Characteristics of CZTSSe Thin-Film Solar Cells with 12.6% Efficiency
- (2013) Wei Wang et al. Advanced Energy Materials
- Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles
- (2013) Federico Brivio et al. APL Materials
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- CALYPSO: A method for crystal structure prediction
- (2012) Yanchao Wang et al. COMPUTER PHYSICS COMMUNICATIONS
- New cubic perovskites for one- and two-photon water splitting using the computational materials repository
- (2012) Ivano E. Castelli et al. Energy & Environmental Science
- Towards an exact description of electronic wavefunctions in real solids
- (2012) George H. Booth et al. NATURE
- Materials interface engineering for solution-processed photovoltaics
- (2012) Michael Graetzel et al. NATURE
- A hybrid computational–experimental approach for automated crystal structure solution
- (2012) Bryce Meredig et al. NATURE MATERIALS
- Identification of Potential Photovoltaic Absorbers Based on First-Principles Spectroscopic Screening of Materials
- (2012) Liping Yu et al. PHYSICAL REVIEW LETTERS
- Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
- (2012) M. M. Lee et al. SCIENCE
- How Evolutionary Crystal Structure Prediction Works—and Why
- (2011) Artem R. Oganov et al. ACCOUNTS OF CHEMICAL RESEARCH
- Atomic Solid State Energy Scale
- (2011) Brian D. Pelatt et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Ab Initio Thermochemistry of Solid-State Materials
- (2010) Ralf Peter Stoffel et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- XtalOpt: An open-source evolutionary algorithm for crystal structure prediction
- (2010) David C. Lonie et al. COMPUTER PHYSICS COMMUNICATIONS
- Ionic high-pressure form of elemental boron
- (2009) Artem R. Oganov et al. NATURE
- Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI andI-III-VI2compounds
- (2009) Shiyou Chen et al. PHYSICAL REVIEW B
- Principal component analysis and dimensional analysis as materials informatics tools to reduce dimensionality in materials science and engineering
- (2009) Krishna Rajan et al. Statistical Analysis and Data Mining
- Heterogeneous photocatalyst materials for water splitting
- (2008) Akihiko Kudo et al. CHEMICAL SOCIETY REVIEWS
- Crystal structure prediction from first principles
- (2008) Scott M. Woodley et al. NATURE MATERIALS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started