Constrained Ab Initio Thermodynamics: Transferring the Concept of Surface Pourbaix Diagrams in Electrocatalysis to Electrode Materials in Lithium-Ion Batteries
出版年份 2017 全文链接
标题
Constrained Ab Initio Thermodynamics: Transferring the Concept of Surface Pourbaix Diagrams in Electrocatalysis to Electrode Materials in Lithium-Ion Batteries
作者
关键词
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出版物
ChemElectroChem
Volume 4, Issue 12, Pages 3231-3237
出版商
Wiley
发表日期
2017-09-11
DOI
10.1002/celc.201700754
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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。- Combining theory and experiment in electrocatalysis: Insights into materials design
- (2017) Zhi Wei Seh et al. SCIENCE
- 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
- A Simple Ansatz to Predict the Structure of Li 4 Ti 5 O 12
- (2016) Stefan Zahn et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Accessing and predicting the kinetic profiles of homogeneous catalysts from volcano plots
- (2016) Matthew D. Wodrich et al. Chemical Science
- Computational Study of Lithium Titanate as a Possible Cathode Material for Solid-State Lithium–Sulfur Batteries
- (2015) Valéry Weber et al. Journal of Physical Chemistry C
- 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
- Linear scaling relationships and volcano plots in homogeneous catalysis – revisiting the Suzuki reaction
- (2015) Michael Busch et al. Chemical 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
- Controlling Selectivity in the Chlorine Evolution Reaction over RuO2-Based Catalysts
- (2014) Kai S. Exner et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Synthesis of Li4Ti5O12 nanostructural anode materials with high charge–discharge capability
- (2014) Ru Wen et al. CHINESE SCIENCE BULLETIN
- Atomic and electronic structures of Li4Ti5O12/Li7Ti5O12 (001) interfaces by first-principles calculations
- (2014) Shingo Tanaka et al. JOURNAL OF MATERIALS SCIENCE
- Atomistic Structure and Ab Initio Electrochemical Properties of Li4Ti5O12Defect Spinel for Li Ion Batteries
- (2014) Ping-chun Tsai et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Lithium diffusion in the spinel phaseLi4Ti5O12and in the rocksalt phaseLi7Ti5O12of lithium titanate from first principles
- (2014) Benedikt Ziebarth et al. PHYSICAL REVIEW B
- Dual phase Li 4 Ti 5 O 12 –TiO 2 nanowire arrays as integrated anodes for high-rate lithium-ion batteries
- (2014) Jin-Yun Liao et al. Nano Energy
- Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams
- (2013) Kai S. Exner et al. ELECTROCHIMICA ACTA
- Excess lithium storage and charge compensation in nanoscale Li4+xTi5O12
- (2013) Feng Wang et al. NANOTECHNOLOGY
- Atomistic structure of a spinel Li4Ti5O12(111) surface elucidated by scanning tunneling microscopy and medium energy ion scattering spectrometry
- (2013) Mitsunori Kitta et al. SURFACE SCIENCE
- Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis
- (2013) Marc T. M. Koper Chemical Science
- Nanosize Storage Properties in Spinel Li4Ti5O12 Explained by Anisotropic Surface Lithium Insertion
- (2012) Swapna Ganapathy et al. ACS Nano
- Ti-based compounds as anode materials for Li-ion batteries
- (2012) Guan-Nan Zhu et al. Energy & Environmental Science
- Analysis of electrocatalytic reaction schemes: distinction between rate-determining and potential-determining steps
- (2012) Marc T. M. Koper JOURNAL OF SOLID STATE ELECTROCHEMISTRY
- Lithium ion diffusion in Li4+xTi5O12: From ab initio studies
- (2011) Y.C. Chen et al. ELECTROCHIMICA ACTA
- Insights into electrocatalysis
- (2011) Alfred B. Anderson PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Oxygen adsorption atLa1−xSrxMnO3(001) surfaces: Predictions from first principles
- (2011) Sergei Piskunov et al. PHYSICAL REVIEW B
- Recent Progress in Nanostructured Cathode Materials for Lithium Secondary Batteries
- (2010) Hyun-Kon Song et al. ADVANCED FUNCTIONAL MATERIALS
- Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
- (2010) Marc T.M. Koper JOURNAL OF ELECTROANALYTICAL CHEMISTRY
- Lithium diffusion in Li4Ti5O12 at high temperatures
- (2010) M. Vijayakumar et al. JOURNAL OF POWER SOURCES
- 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
- Nanostructures and lithium electrochemical reactivity of lithium titanites and titanium oxides: A review
- (2009) Zhenguo Yang et al. JOURNAL OF POWER SOURCES
- Lithium batteries: Status, prospects and future
- (2009) Bruno Scrosati et al. JOURNAL OF POWER SOURCES
- Electrochemical chlorine evolution at rutile oxide (110) surfaces
- (2009) Heine A. Hansen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- 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
- Electronic structure and thermodynamic stability ofLaMnO3andLa1−xSrxMnO3(001) surfaces:Ab initiocalculations
- (2008) Sergei Piskunov et al. PHYSICAL REVIEW B
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