A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach
出版年份 2018 全文链接
标题
A short perspective of modeling electrode materials in lithium-ion batteries by the ab initio atomistic thermodynamics approach
作者
关键词
Ab initio atomistic thermodynamics, Lithium-ion batteries, Lithium titanate (LTO), Lithium cobaltite (LCO), Stability diagrams
出版物
JOURNAL OF SOLID STATE ELECTROCHEMISTRY
Volume -, Issue -, Pages -
出版商
Springer Nature
发表日期
2018-06-17
DOI
10.1007/s10008-018-4017-9
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。- Spray-drying assisted synthesis of a Li 4 Ti 5 O 12 /C composite for high rate performance lithium ion batteries
- (2018) Ji-Hyun Park et al. CERAMICS INTERNATIONAL
- Studies on spinel cobaltites, MCo 2 O 4 (M = Mn, Zn, Fe, Ni and Co) and their functional properties
- (2018) Devendrasinh Darbar et al. CERAMICS INTERNATIONAL
- High-rate Li 4 Ti 5 O 12 /porous activated graphene nanoplatelets composites using LiOH both as lithium source and activating agent
- (2018) Dongdong Wang et al. ELECTROCHIMICA ACTA
- Li insertion into Li 4 Ti 5 O 12 spinel prepared by low temperature solid state route: Charge capability vs surface area
- (2018) Markéta Zukalová et al. ELECTROCHIMICA ACTA
- Graphene oxide assisted template-free synthesis of nanoscale splode-like NiCo 2 O 4 hollow microsphere with superior lithium storage properties
- (2018) Haibo Rong et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- A Universal Approach To Determine the Free Energy Diagram of an Electrocatalytic Reaction
- (2018) Kai S. Exner et al. ACS Catalysis
- Anti-perovskite cathodes for lithium batteries
- (2018) Ziheng Lu et al. Journal of Materials Chemistry A
- Ultra-high-rate, ultra-long-life asymmetric supercapacitors based on few-crystalline, porous NiCo2O4 nanosheet composites
- (2018) Long Zhang et al. Journal of Materials Chemistry A
- Towards identifying the active sites on RuO2(110) in catalyzing oxygen evolution
- (2017) Reshma R. Rao et al. Energy & Environmental Science
- Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries
- (2017) Y. Xie et al. Energy & Environmental Science
- Excellent long-term electrochemical performance of graphite oxide as cathode materials for lithium-ion batteries
- (2017) Chunmiao Yan et al. IONICS
- Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3
- (2017) Paul E. Pearce et al. NATURE MATERIALS
- Pressure-induced abnormal insulating state in triangular layered cobaltite LixCoO2 (x = 0.9)
- (2017) Cong Xu et al. Journal of Materials Chemistry A
- Full Free Energy Diagram of an Electrocatalytic Reaction over a Single-Crystalline Model Electrode
- (2017) Kai S. Exner et al. ChemElectroChem
- Constrained Ab Initio Thermodynamics: Transferring the Concept of Surface Pourbaix Diagrams in Electrocatalysis to Electrode Materials in Lithium-Ion Batteries
- (2017) Kai S. Exner ChemElectroChem
- Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4
- (2017) Arnaud J. Perez et al. Nature Energy
- Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2 (110) Model Electrode
- (2016) Kai S. Exner et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na2IrO3
- (2016) Arnaud J. Perez et al. CHEMISTRY OF MATERIALS
- A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries
- (2016) Meiling Sun et al. CHEMISTRY OF MATERIALS
- The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries
- (2016) M. Saubanère et al. Energy & Environmental Science
- Borophene: A promising anode material offering high specific capacity and high rate capability for lithium-ion batteries
- (2016) H.R. Jiang et al. Nano Energy
- A comprehensive review of Li 4 Ti 5 O 12 -based electrodes for lithium-ion batteries: The latest advancements and future perspectives
- (2015) Bote Zhao et al. MATERIALS SCIENCE & ENGINEERING R-REPORTS
- Design principles for solid-state lithium superionic conductors
- (2015) Yan Wang et al. NATURE MATERIALS
- Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries
- (2015) E. McCalla et al. SCIENCE
- Recent advances of Li4Ti5O12 as a promising next generation anode material for high power lithium-ion batteries
- (2015) Ting-Feng Yi et al. Journal of Materials Chemistry A
- Ti3C2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries
- (2014) Dequan Er et al. ACS Applied Materials & Interfaces
- Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-Based Catalysts
- (2014) Kai S. Exner et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Self-Supported Li4Ti5O12–C Nanotube Arrays as High-Rate and Long-Life Anode Materials for Flexible Li-Ion Batteries
- (2014) Jun Liu et al. NANO LETTERS
- Origin of voltage decay in high-capacity layered oxide electrodes
- (2014) M. Sathiya et al. NATURE MATERIALS
- An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries
- (2014) M. Saubanère et al. Nature Communications
- Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110): a Mechanistic Ab Initio Atomistic Thermodynamics Study
- (2014) Kai S. Exner et al. Electrocatalysis
- A Self-Standing and Flexible Electrode of Li4Ti5O12Nanosheets with a N-Doped Carbon Coating for High Rate Lithium Ion Batteries
- (2013) Na Li et al. ADVANCED FUNCTIONAL MATERIALS
- Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
- (2013) M. Saiful Islam et al. CHEMICAL SOCIETY REVIEWS
- Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams
- (2013) Kai S. Exner et al. ELECTROCHIMICA ACTA
- Reversible anionic redox chemistry in high-capacity layered-oxide electrodes
- (2013) M. Sathiya et al. NATURE MATERIALS
- Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis
- (2013) Marc T. M. Koper Chemical Science
- A zero-strain layered metal oxide as the negative electrode for long-life sodium-ion batteries
- (2013) Yuesheng Wang et al. Nature Communications
- Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
- (2012) Shyue Ping Ong et al. COMPUTATIONAL MATERIALS SCIENCE
- Analysis of electrocatalytic reaction schemes: distinction between rate-determining and potential-determining steps
- (2012) Marc T. M. Koper JOURNAL OF SOLID STATE ELECTROCHEMISTRY
- 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
- Silicate cathodes for lithium batteries: alternatives to phosphates?
- (2011) M. Saiful Islam et al. JOURNAL OF MATERIALS CHEMISTRY
- Facile synthesis of mesoporous lithium titanate spheres for high rate lithium-ion batteries
- (2011) Yu-Sheng Lin et al. JOURNAL OF POWER SOURCES
- Single crystalline lithium titanate nanostructure with enhanced rate performance for lithium ion battery
- (2011) Jun Lu et al. JOURNAL OF POWER SOURCES
- Beyond Intercalation-Based Li-Ion Batteries: The State of the Art and Challenges of Electrode Materials Reacting Through Conversion Reactions
- (2010) Jordi Cabana et al. ADVANCED MATERIALS
- Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
- (2010) Marc T.M. Koper JOURNAL OF ELECTROANALYTICAL CHEMISTRY
- Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)
- (2010) Ya-Hui Fang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Battery materials for ultrafast charging and discharging
- (2009) Byoungwoo Kang et al. NATURE
- Electrochemical chlorine evolution at rutile oxide (110) surfaces
- (2009) Heine A. Hansen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Li−Fe−P−O2 Phase Diagram from First Principles Calculations
- (2008) Shyue Ping Ong et al. CHEMISTRY OF MATERIALS
- Lithium Battery Materials LiMPO4(M= Mn, Fe, Co, and Ni): Insights into Defect Association, Transport Mechanisms, and Doping Behavior
- (2008) Craig A. J. Fisher et al. CHEMISTRY OF MATERIALS
- Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT
- (2008) Heine A. Hansen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started