Hybrid quantum-classical model of mechano-electrochemical effects on graphite-electrolyte interfaces in metal-ion batteries

[1]  Thomas M. M. Heenan,et al.  A Dilatometric Study of Graphite Electrodes during Cycling with X-ray Computed Tomography , 2020, Journal of The Electrochemical Society.

[2]  Hongkyung Lee,et al.  Role of inner solvation sheath within salt–solvent complexes in tailoring electrode/electrolyte interphases for lithium metal batteries , 2020, Proceedings of the National Academy of Sciences.

[3]  M. Cao,et al.  Initial Electrode Kinetics of Anion Intercalation and De‐intercalation in Nonaqueous Al‐Graphite Batteries † , 2020, Chinese Journal of Chemistry.

[4]  W. Chueh,et al.  Theory of coupled ion-electron transfer kinetics , 2020, 2007.12980.

[5]  Yijin Liu,et al.  Heterogeneous Damage in Li-Ion Batteries: Experimental Analysis and Theoretical Modeling , 2019, ECS Meeting Abstracts.

[6]  Michael J. Wang,et al.  Characterizing the Li-Solid-Electrolyte Interface Dynamics as a Function of Stack Pressure and Current Density , 2019, Joule.

[7]  Jun Huang,et al.  Quantitative Understanding of the Sluggish Kinetics of Hydrogen Reactions in Alkaline Media Based on a Microscopic Hamiltonian Model for the Volmer Step , 2019, The Journal of Physical Chemistry C.

[8]  Alexander D. MacKerell,et al.  Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields , 2019, Chemical reviews.

[9]  R. McMeeking,et al.  A finite strain electro-chemo-mechanical theory for ion transport with application to binary solid electrolytes , 2019, Journal of the Mechanics and Physics of Solids.

[10]  Yuki Yamada,et al.  Advances and issues in developing salt-concentrated battery electrolytes , 2019, Nature Energy.

[11]  R. McMeeking,et al.  An Extended Formulation of Butler-Volmer Electrochemical Reaction Kinetics Including the Influence of Mechanics , 2019, Journal of The Electrochemical Society.

[12]  D. Fang,et al.  In situ optical observations and simulations on defect induced failure of silicon island anodes , 2018, Journal of Power Sources.

[13]  Yongjun Lu,et al.  Reaction-diffusion-stress coupling model for Li-ion batteries: The role of surface effects on electrochemical performance , 2018, Electrochimica Acta.

[14]  M. Verbrugge,et al.  Experimental and Theoretical Characterization of Electrode Materials That Undergo Large Volume Changes and Application to the Lithium-Silicon System , 2015 .

[15]  W. Schmickler,et al.  The partial charge transfer , 2014 .

[16]  Martin Z Bazant,et al.  Theory of chemical kinetics and charge transfer based on nonequilibrium thermodynamics. , 2012, Accounts of chemical research.

[17]  Thomas A. Yersak,et al.  Effect of Compressive Stress on Electrochemical Performance of Silicon Anodes , 2013 .

[18]  Aleš Iglič,et al.  Decrease of permittivity of an electrolyte solution near a charged surface due to saturation and excluded volume effects. , 2012, Bioelectrochemistry.

[19]  A. Bower,et al.  A finite strain model of stress, diffusion, plastic flow, and electrochemical reactions in a lithium-ion half-cell , 2011, 1107.6020.

[20]  A. Bower,et al.  In Situ Measurements of Stress-Potential Coupling in Lithiated Silicon , 2010, 1108.0372.

[21]  Huajian Gao,et al.  Deformation gradients for continuum mechanical analysis of atomistic simulations , 2009 .

[22]  A. Kuznetsov,et al.  Effect of Coulomb interaction between the electrons on two-electron redox-mediated tunneling , 2008 .

[23]  Candace K. Chan,et al.  High-performance lithium battery anodes using silicon nanowires. , 2008, Nature nanotechnology.

[24]  Alexei A Kornyshev,et al.  Double-layer in ionic liquids: paradigm change? , 2007, The journal of physical chemistry. B.

[25]  Paul Steinmann,et al.  On higher gradients in continuum-atomistic modelling , 2003 .

[26]  A. Manthiram,et al.  Chemical synthesis and properties of spinel Li1-xCo2O4-δ , 2002 .

[27]  W. Schmickler Electron and ion transfer reactions on metal electrodes , 1996 .

[28]  J. O'm. Bockris,et al.  The Mechanism of the Dendritic Electrocrystallization of Zinc , 1969 .

[29]  Rudolph A. Marcus,et al.  On the Theory of Electron-Transfer Reactions. VI. Unified Treatment for Homogeneous and Electrode Reactions , 1965 .

[30]  F. Booth,et al.  The Dielectric Constant of Water and the Saturation Effect , 1951 .

[31]  A. Frumkin,et al.  Wasserstoffüberspannung und Struktur der Doppelschicht , 1933 .