标题
Structural diversity in lithium carbides
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 92, Issue 21, Pages -
出版商
American Physical Society (APS)
发表日期
2015-12-12
DOI
10.1103/physrevb.92.214106
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Intercalation Compounds from LiH and Graphite: Relative Stability of Metastable Stages and Thermodynamic Stability of Dilute Stage Id
- (2015) Sumit Konar et al. CHEMISTRY OF MATERIALS
- The structural, elastic and electronic properties of A2C2 (A = Li, Na, K, Rb and Cs): First-principles calculations
- (2015) Chun-Lin Tang et al. INTERNATIONAL JOURNAL OF MODERN PHYSICS C
- Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on
- (2015) Eva Zurek et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Structural transformations ofLi2C2at high pressures
- (2015) Ilias Efthimiopoulos et al. PHYSICAL REVIEW B
- Boundaries for martensitic transition of 7Li under pressure
- (2015) Anne Marie Schaeffer et al. Nature Communications
- Investigation of exotic stable calcium carbides using theory and experiment
- (2015) Yan-Ling Li et al. Nature Communications
- Synthesis of β-Mg2C3: A Monoclinic High-Pressure Polymorph of Magnesium Sesquicarbide
- (2014) Timothy A. Strobel et al. INORGANIC CHEMISTRY
- K6 carbon: A metallic carbon allotrope in sp3 bonding networks
- (2014) Chun-Yao Niu et al. JOURNAL OF CHEMICAL PHYSICS
- Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods
- (2014) P. Ganesh et al. Journal of Chemical Theory and Computation
- High-Pressure and High-Temperature Stability of Antifluorite Mg2C by in Situ X-ray Diffraction and ab Initio Calculations
- (2014) Oleksandr O. Kurakevych et al. Journal of Physical Chemistry C
- A metallic carbon consisting of helical carbon triangle chains
- (2014) Meng Hu et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Synthesis of an open-framework allotrope of silicon
- (2014) Duck Young Kim et al. NATURE MATERIALS
- Prediction of stable hafnium carbides: Stoichiometries, mechanical properties, and electronic structure
- (2014) Qingfeng Zeng et al. PHYSICAL REVIEW B
- Thermodynamically stable lithium silicides and germanides from density functional theory calculations
- (2014) Andrew J. Morris et al. PHYSICAL REVIEW B
- Li intercalation in graphite: A van der Waals density-functional study
- (2014) E. Hazrati et al. PHYSICAL REVIEW B
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- (2014) Hongxia Bu et al. Journal of Materials Chemistry C
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- (2013) Xue Jiang et al. ADVANCED FUNCTIONAL MATERIALS
- Synthesis of Mg2C: A Magnesium Methanide
- (2013) Oleksandr O. Kurakevych et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Lithium and Calcium Carbides with Polymeric Carbon Structures
- (2013) Daryn Benson et al. INORGANIC CHEMISTRY
- Thermodynamic stability of Li2C2 and LiC6
- (2013) Martin Drüe et al. JOURNAL OF ALLOYS AND COMPOUNDS
- Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 Orbitals
- (2013) František Karlický et al. Journal of Chemical Theory and Computation
- Stable three-dimensional metallic carbon with interlocking hexagons
- (2013) S. Zhang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6
- (2013) Yan-Ling Li et al. Scientific Reports
- CALYPSO: A method for crystal structure prediction
- (2012) Yanchao Wang et al. COMPUTER PHYSICS COMMUNICATIONS
- New developments in evolutionary structure prediction algorithm USPEX
- (2012) Andriy O. Lyakhov et al. COMPUTER PHYSICS COMMUNICATIONS
- Na-Si Clathrates Are High-Pressure Phases: A Melt-Based Route to Control Stoichiometry and Properties
- (2012) Oleksandr O. Kurakevych et al. CRYSTAL GROWTH & DESIGN
- Structural behavior of the acetylide carbides Li2C2 and CaC2 at high pressure
- (2012) Johanna Nylén et al. JOURNAL OF CHEMICAL PHYSICS
- Exotic Cubic Carbon Allotropes
- (2012) Meng Hu et al. Journal of Physical Chemistry C
- Structural evolution of amino acid crystals under stress from a non-empirical density functional
- (2012) Riccardo Sabatini et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Tetragonal Allotrope of Group 14 Elements
- (2012) Zhisheng Zhao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
- (2012) Eunseok Lee et al. NANO LETTERS
- Unified description of ground and excited states of finite systems: The self-consistentGWapproach
- (2012) F. Caruso et al. PHYSICAL REVIEW B
- Crystal Structure of Cold Compressed Graphite
- (2012) Maximilian Amsler et al. PHYSICAL REVIEW LETTERS
- Crystal structure of graphite under room-temperature compression and decompression
- (2012) Yuejian Wang et al. Scientific Reports
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- (2012) Xun-Li Wang et al. Scientific Reports
- Carbide-Derived Carbons - From Porous Networks to Nanotubes and Graphene
- (2011) Volker Presser et al. ADVANCED FUNCTIONAL MATERIALS
- Identifying duplicate crystal structures: XtalComp, an open-source solution
- (2011) David C. Lonie et al. COMPUTER PHYSICS COMMUNICATIONS
- VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
- (2011) Koichi Momma et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Ab initiorandom structure searching
- (2011) Chris J Pickard et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Cold melting and solid structures of dense lithium
- (2011) Christophe L. Guillaume et al. Nature Physics
- Denser than diamond:Ab initiosearch for superdense carbon allotropes
- (2011) Qiang Zhu et al. PHYSICAL REVIEW B
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- (2011) Andriy O. Lyakhov et al. PHYSICAL REVIEW B
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- (2011) Jiří Klimeš et al. PHYSICAL REVIEW B
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- (2011) Zhisheng Zhao et al. PHYSICAL REVIEW LETTERS
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- (2010) David C. Lonie et al. COMPUTER PHYSICS COMMUNICATIONS
- Phase stability of carbon clathrates at high pressure
- (2010) Jian-Tao Wang et al. JOURNAL OF APPLIED PHYSICS
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- (2010) Maximilian Amsler et al. JOURNAL OF CHEMICAL PHYSICS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
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- (2010) B Ruprecht et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Polymeric forms of carbon in dense lithium carbide
- (2010) Xing-Qiu Chen et al. JOURNAL OF PHYSICS-CONDENSED MATTER
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- (2009) Jiří Klimeš et al. JOURNAL OF PHYSICS-CONDENSED MATTER
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- (2009) W Tang et al. JOURNAL OF PHYSICS-CONDENSED MATTER
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- (2009) Guillermo Román-Pérez et al. PHYSICAL REVIEW LETTERS
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