Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
出版年份 2016 全文链接
标题
Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
作者
关键词
-
出版物
NPG Asia Materials
Volume 8, Issue 3, Pages e254-e254
出版商
Springer Nature
发表日期
2016-03-25
DOI
10.1038/am.2016.7
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。- Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes
- (2015) Randy Jalem et al. CHEMISTRY OF MATERIALS
- Rational Composition Optimization of the Lithium-Rich Li3OCl1–xBrx Anti-Perovskite Superionic Conductors
- (2015) Zhi Deng et al. CHEMISTRY OF MATERIALS
- Lithium Ion Conduction in LiTi2(PO4)3 and Related Compounds Based on the NASICON Structure: A First-Principles Study
- (2015) Britta Lang et al. CHEMISTRY OF MATERIALS
- Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor
- (2015) Zhuoying Zhu et al. CHEMISTRY OF MATERIALS
- The Electrolyte Genome project: A big data approach in battery materials discovery
- (2015) Xiaohui Qu et al. COMPUTATIONAL MATERIALS SCIENCE
- FireWorks: a dynamic workflow system designed for high-throughput applications
- (2015) Anubhav Jain et al. CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
- Domain boundaries and their influence on Li migration in solid-state electrolyte (La,Li)TiO 3
- (2015) Hiroki Moriwake et al. JOURNAL OF POWER SOURCES
- Design principles for solid-state lithium superionic conductors
- (2015) Yan Wang et al. NATURE MATERIALS
- General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes
- (2015) Jie Pan et al. PHYSICAL REVIEW B
- Effects of penta- and trivalent dopants on structure and conductivity of Li7La3Zr2O12
- (2015) W. Gu et al. SOLID STATE IONICS
- Ultimate Limits to Intercalation Reactions for Lithium Batteries
- (2014) M. Stanley Whittingham CHEMICAL REVIEWS
- Electrolytes and Interphases in Li-Ion Batteries and Beyond
- (2014) Kang Xu CHEMICAL REVIEWS
- Chemical and Electrochemical Lithiation of LiVOPO4 Cathodes for Lithium-Ion Batteries
- (2014) Katharine L. Harrison et al. CHEMISTRY OF MATERIALS
- Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations
- (2014) Yifei Mo et al. CHEMISTRY OF MATERIALS
- A β-VOPO4/ε-VOPO4 composite Li-ion battery cathode
- (2014) Zehua Chen et al. ELECTROCHEMISTRY COMMUNICATIONS
- 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
- Solid-State Electrolytes: Revealing the Mechanisms of Li-Ion Conduction in Tetragonal and Cubic LLZO by First-Principles Calculations
- (2014) Katharina Meier et al. Journal of Physical Chemistry C
- Theoretical Study of Li Migration in Lithium–Graphite Intercalation Compounds with Dispersion-Corrected DFT Methods
- (2014) Sascha Thinius et al. Journal of Physical Chemistry C
- Structures, Thermodynamics, and Li+ Mobility of Li10GeP2S12: A First-Principles Analysis
- (2014) Fuming Du et al. Journal of Physical Chemistry C
- High sodium ion conductivity of glass–ceramic electrolytes with cubic Na3PS4
- (2014) Akitoshi Hayashi et al. JOURNAL OF POWER SOURCES
- Sodium Ion Diffusion in Al2O3: A Distinct Perspective Compared with Lithium Ion Diffusion
- (2014) Sung Chul Jung et al. NANO LETTERS
- A new ultrafast superionic Li-conductor: ion dynamics in Li11Si2PS12and comparison with other tetragonal LGPS-type electrolytes
- (2014) Alexander Kuhn et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Lithium diffusion in the spinel phaseLi4Ti5O12and in the rocksalt phaseLi7Ti5O12of lithium titanate from first principles
- (2014) Benedikt Ziebarth et al. PHYSICAL REVIEW B
- Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
- (2014) J. Lee et al. SCIENCE
- The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
- (2014) Alexander Urban et al. Advanced Energy Materials
- Preparation and characterization of highly sodium ion conducting Na3PS4–Na4SiS4 solid electrolytes
- (2014) Naoto Tanibata et al. RSC Advances
- Phase stability and its impact on the electrochemical performance of VOPO4and LiVOPO4
- (2014) Chen Ling et al. Journal of Materials Chemistry A
- Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
- (2013) M. Saiful Islam et al. CHEMICAL SOCIETY REVIEWS
- Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li7La3Zr2O12
- (2013) Randy Jalem et al. CHEMISTRY OF MATERIALS
- Phase Stability of Post-spinel Compound AMn2O4 (A = Li, Na, or Mg) and Its Application as a Rechargeable Battery Cathode
- (2013) Chen Ling et al. CHEMISTRY OF MATERIALS
- Pyrophosphate Chemistry toward Safe Rechargeable Batteries
- (2013) Mao Tamaru et al. CHEMISTRY OF MATERIALS
- Phase Stability and Transport Mechanisms in Antiperovskite Li3OCl and Li3OBr Superionic Conductors
- (2013) Alexandra Emly et al. CHEMISTRY OF MATERIALS
- Microwave-Assisted Solvothermal Synthesis and Characterization of Various Polymorphs of LiVOPO4
- (2013) Katharine L. Harrison et al. CHEMISTRY OF MATERIALS
- Effect of Rb and Ta Doping on the Ionic Conductivity and Stability of the Garnet Li7+2x–y(La3–xRbx)(Zr2–yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic Conductor: A First Principles Investigation
- (2013) Lincoln J. Miara et al. CHEMISTRY OF MATERIALS
- Na-ion mobility in layered Na2FePO4F and olivine Na[Fe,Mn]PO4
- (2013) R. Tripathi et al. Energy & Environmental Science
- A sulphide lithium super ion conductor is superior to liquid ion conductors for use in rechargeable batteries
- (2013) Yoshikatsu Seino et al. Energy & Environmental Science
- Lithium Transport in Amorphous Al2O3 and AlF3 for Discovery of Battery Coatings
- (2013) Shiqiang Hao et al. Journal of Physical Chemistry C
- How Do Li Atoms Pass through the Al2O3 Coating Layer during Lithiation in Li-ion Batteries?
- (2013) Sung Chul Jung et al. Journal of Physical Chemistry Letters
- Li10SnP2S12: An Affordable Lithium Superionic Conductor
- (2013) Philipp Bron et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Structural and Electrochemical Characterizations of P2 and New O3-NaxMn1-yFeyO2Phases Prepared by Auto-Combustion Synthesis for Na-Ion Batteries
- (2013) B. Mortemard de Boisse et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Lithium intercalation behaviors in Ge and Sn crystalline surfaces
- (2013) Sung Chul Jung et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Li diffusion through doped and defected graphene
- (2013) Deya Das et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ab initiostudy of the stabilities of and mechanism of superionic transport in lithium-rich antiperovskites
- (2013) Yi Zhang et al. PHYSICAL REVIEW B
- Structures, Li+mobilities, and interfacial properties of solid electrolytes Li3PS4and Li3PO4from first principles
- (2013) N. D. Lepley et al. PHYSICAL REVIEW B
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries
- (2012) Ying Shirley Meng et al. ACCOUNTS OF CHEMICAL RESEARCH
- Adsorption and Diffusion of Li on Pristine and Defective Graphene
- (2012) Xiaofeng Fan et al. ACS Applied Materials & Interfaces
- High-Voltage Pyrophosphate Cathode: Insights into Local Structure and Lithium-Diffusion Pathways
- (2012) John M. Clark et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- One-dimensional stringlike cooperative migration of lithium ions in an ultrafast ionic conductor
- (2012) M. Xu et al. APPLIED PHYSICS LETTERS
- Insights into Changes in Voltage and Structure of Li2FeSiO4 Polymorphs for Lithium-Ion Batteries
- (2012) C. Eames et al. CHEMISTRY OF MATERIALS
- Crystal Structure, Energetics, And Electrochemistry of Li2FeSiO4 Polymorphs from First Principles Calculations
- (2012) A. Saracibar et al. CHEMISTRY OF MATERIALS
- Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
- (2012) Shyue Ping Ong et al. COMPUTATIONAL MATERIALS SCIENCE
- Reversible NaFePO4 electrode for sodium secondary batteries
- (2012) Seung-Min Oh et al. ELECTROCHEMISTRY COMMUNICATIONS
- Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12(M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors
- (2012) Shyue Ping Ong et al. Energy & Environmental Science
- Structural requirements for fast lithium ion migration in Li10GeP2S12
- (2012) Stefan Adams et al. JOURNAL OF MATERIALS CHEMISTRY
- First-Principles Study of Lithium Adsorption and Diffusion on Graphene with Point Defects
- (2012) Liu-Jiang Zhou et al. Journal of Physical Chemistry C
- Superionic Conductivity in Lithium-Rich Anti-Perovskites
- (2012) Yusheng Zhao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- New Iron-Based Mixed-Polyanion Cathodes for Lithium and Sodium Rechargeable Batteries: Combined First Principles Calculations and Experimental Study
- (2012) Hyungsub Kim et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Diffusion Mechanism of Lithium Ion through Basal Plane of Layered Graphene
- (2012) Fei Yao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase
- (2012) Siqi Shi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Computer Modeling of Crystalline Electrolytes: Lithium Thiophosphates and Phosphates
- (2012) N. D. Lepley et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Multicomponent Silicate Cathode Materials for Rechargeable Li-Ion Batteries: An Ab Initio Study
- (2012) R. C. Longo et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Recent progress in cathode materials research for advanced lithium ion batteries
- (2012) Bo Xu et al. MATERIALS SCIENCE & ENGINEERING R-REPORTS
- P2-type Na x [Fe1/2Mn1/2]O2 made from earth-abundant elements for rechargeable Na batteries
- (2012) Naoaki Yabuuchi et al. NATURE MATERIALS
- First-principles study of lithium ion migration in lithium transition metal oxides with spinel structure
- (2012) Masanobu Nakayama et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Origin of the Structural Phase Transition inLi7La3Zr2O12
- (2012) N. Bernstein et al. PHYSICAL REVIEW LETTERS
- Structural changes on cycling Li2FeSiO4 polymorphs from DFT calculations
- (2012) Anti Liivat SOLID STATE IONICS
- Superionic glass-ceramic electrolytes for room-temperature rechargeable sodium batteries
- (2012) Akitoshi Hayashi et al. Nature Communications
- High-Voltage Pyrophosphate Cathodes
- (2012) Prabeer Barpanda et al. Advanced Energy Materials
- Ab initio calculations on Li-ion migration in Li2FeSiO4 cathode material with a P21 symmetry structure
- (2011) Dawei Su et al. APPLIED PHYSICS LETTERS
- Electronic, Structural, and Electrochemical Properties of LiNixCuyMn2–x–yO4(0
- (2011) Ming-Che Yang et al. CHEMISTRY OF MATERIALS
- First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
- (2011) Yifei Mo et al. CHEMISTRY OF MATERIALS
- Neutron and X-ray Diffraction Study of Pyrophosphate-Based Li2–xMP2O7(M = Fe, Co) for Lithium Rechargeable Battery Electrodes
- (2011) Hyungsub Kim et al. CHEMISTRY OF MATERIALS
- Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
- (2011) Tim Mueller et al. CHEMISTRY OF MATERIALS
- Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughputab InitioCalculations
- (2011) Geoffroy Hautier et al. CHEMISTRY OF MATERIALS
- A high-throughput infrastructure for density functional theory calculations
- (2011) Anubhav Jain et al. COMPUTATIONAL MATERIALS SCIENCE
- Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
- (2011) Shyue Ping Ong et al. Energy & Environmental Science
- Ion transport and phase transition in Li7−xLa3(Zr2−xMx)O12(M = Ta5+, Nb5+, x = 0, 0.25)
- (2011) Stefan Adams et al. JOURNAL OF MATERIALS CHEMISTRY
- Hybrid Density Functional Calculations and Molecular Dynamics Study of Lithium Fluorosulphate, A Cathode Material for Lithium-Ion Batteries
- (2011) Muhammad Ramzan et al. Journal of Physical Chemistry C
- Characterization of Na-based phosphate as electrode materials for electrochemical cells
- (2011) K. Zaghib et al. JOURNAL OF POWER SOURCES
- The Mixing Mechanism during Lithiation of Si Negative Electrode in Li-Ion Batteries: An Ab Initio Molecular Dynamics Study
- (2011) Priya Johari et al. NANO LETTERS
- A lithium superionic conductor
- (2011) Noriaki Kamaya et al. NATURE MATERIALS
- Structure and dynamics of the fast lithium ion conductor “Li7La3Zr2O12”
- (2011) Henrik Buschmann et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Polymorphism and phase transformations of Li2−xFeSiO4(0⩽x⩽2) from first principles
- (2011) Dong-Hwa Seo et al. PHYSICAL REVIEW B
- Short-range order and Li+ ion diffusion mechanisms in Li5La9□2(TiO3)16 (LLTO)
- (2011) Michele Catti SOLID STATE IONICS
- Structure and Stability of Sodium Intercalated Phases in Olivine FePO4
- (2010) P. Moreau et al. CHEMISTRY OF MATERIALS
- Na4Mn9O18 as a positive electrode material for an aqueous electrolyte sodium-ion energy storage device
- (2010) J.F. Whitacre et al. ELECTROCHEMISTRY COMMUNICATIONS
- A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries
- (2010) Pallavi Verma et al. ELECTROCHIMICA ACTA
- Crystal Chemistry and Stability of “Li7La3Zr2O12” Garnet: A Fast Lithium-Ion Conductor
- (2010) Charles A. Geiger et al. INORGANIC CHEMISTRY
- Lithium Diffusion in Graphitic Carbon
- (2010) Kristin Persson et al. Journal of Physical Chemistry Letters
- Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods
- (2010) Bo Xu et al. JOURNAL OF POWER SOURCES
- A novel sol–gel synthesis route to NaVPO4F as cathode material for hybrid lithium ion batteries
- (2010) Jianqing Zhao et al. JOURNAL OF POWER SOURCES
- Computer modeling of lithium phosphate and thiophosphate electrolyte materials
- (2010) N.A.W. Holzwarth et al. JOURNAL OF POWER SOURCES
- Controlling Diffusion of Lithium in Silicon Nanostructures
- (2010) Tzu-Liang Chan et al. NANO LETTERS
- Particle Size Dependence of the Ionic Diffusivity
- (2010) Rahul Malik et al. NANO LETTERS
- Edge Effects on the Characteristics of Li Diffusion in Graphene
- (2010) Chananate Uthaisar et al. NANO LETTERS
- Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
- (2010) Kristin Persson et al. PHYSICAL REVIEW B
- Simulated defect and interface engineering for high power Li electrode materials
- (2010) Stefan Adams et al. SOLID STATE IONICS
- Li-ion migration in Li2FeSiO4-related cathode materials: A DFT study
- (2010) Anti Liivat et al. SOLID STATE IONICS
- Lithium Insertion and Transport in the TiO2−B Anode Material: A Computational Study
- (2009) Corinne Arrouvel et al. CHEMISTRY OF MATERIALS
- Li2MnSiO4Lithium Battery Material: Atomic-Scale Study of Defects, Lithium Mobility, and Trivalent Dopants
- (2009) N. Kuganathan et al. CHEMISTRY OF MATERIALS
- Synthesis and structure analysis of tetragonal Li7La3Zr2O12 with the garnet-related type structure
- (2009) Junji Awaka et al. JOURNAL OF SOLID STATE CHEMISTRY
- First principles study of Li diffusion inI-Li2NiO2structure
- (2009) Kisuk Kang et al. PHYSICAL REVIEW B
- Inorganic solid Li ion conductors: An overview
- (2009) Philippe Knauth SOLID STATE IONICS
- On the Energetic Stability and Electrochemistry of Li2MnSiO4Polymorphs
- (2008) M. E. Arroyo-deDompablo et al. CHEMISTRY OF MATERIALS
- Structural stabilities, electronic structures and lithium deintercalation in LixMSiO4 (M=Mn, Fe, Co, Ni): A GGA and GGA+U study
- (2008) S.Q. Wu et al. COMPUTATIONAL MATERIALS SCIENCE
- Ion Mobility Pathways of the Li+ Conductor Li0.125La0.625TiO3 by Ab Initio Simulations
- (2008) Michele Catti Journal of Physical Chemistry C
- Effects of O vacancies and N or Si substitutions onLi+migration inLi3PO4electrolytes from first principles
- (2008) Yaojun A. Du et al. PHYSICAL REVIEW B
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search