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Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries

Evan Walter Clark Spotte-Smith, Ronald L Kam, Daniel Barter, Xiaowei Xie, Tingzheng Hou, Shyam Dwaraknath, Samuel M Blau, Kristin Aslaug Persson

Version 3 posted 16 March 2022

687

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Inorganic Chemistry

Working Paper

Applications of the Marcus cross relation to inner sphere O2 reduction: Implications in Small-Molecule Activation

David Lacy

Version 4 posted 30 July 2019

1,010

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Catalysis

Working Paper

Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids

Kateryna Goloviznina, Mathieu Salanne

Version 1 posted 17 October 2022

205

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Theoretical and Computational Chemistry

Working Paper

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Jesús Lucia-Tamudo, Manuel Alcamí, Sergio Díaz-Tendero, Juan José Nogueira

Version 1 posted 20 June 2023

88

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Theoretical and Computational Chemistry

Working Paper

Electron transfer in TEMPO-based organic radical batteries governed by electronic coupling

Souvik Mitra, Clara Zens, Stephan Kupfer, Diddo Diddens

Version 1 posted 26 June 2023

109

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Theoretical and Computational Chemistry

Working Paper

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

Jesús Lucia-Tamudo, Juan Jose Nogueira, Sergio Díaz-Tendero

Version 1 posted 22 September 2022

105

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Energy

Working Paper

Short and Long-Range Electron Transfer Compete to Determine Free-Charge Yield in Organic Semiconductors

Joshua M. Carr, Taylor G. Allen, Bryon W. Larson, Iryna G. Davydenko, Raghunath R. Dasari, Stephen Barlow, Seth R. Marder, Obadiah G. Reid, Garry Rumbles

Version 2 posted 18 August 2021

574

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Theoretical and Computational Chemistry

Working Paper

Electron Transfer of Functionalised Quinones in Acetonitrile

Tzu-Yao Hsu, Roxanne Berthin, Alessandra Serva, Kyle Reeves, Mathieu Salanne, Guillaume Jeanmairet

Version 1 posted 13 June 2022

195

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Physical Chemistry

Working Paper

Efficient analytical gradients of property-based diabatic states: Geometry optimizations for localized holes

Amiel Paz, William Glover

Version 1 posted 15 March 2023

141

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Theoretical and Computational Chemistry

Working Paper

Modelling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches

Jesús Lucia-Tamudo, Sergio Díaz-Tendero, Juan Jose Nogueira

Version 1 posted 29 March 2024

95

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Refine Search

16 results in Marcus theory in Keywords: Marcus theory

Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries

Applications of the Marcus cross relation to inner sphere O2 reduction: Implications in Small-Molecule Activation

Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Electron transfer in TEMPO-based organic radical batteries governed by electronic coupling

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

Short and Long-Range Electron Transfer Compete to Determine Free-Charge Yield in Organic Semiconductors

Electron Transfer of Functionalised Quinones in Acetonitrile

Efficient analytical gradients of property-based diabatic states: Geometry optimizations for localized holes

Modelling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches

16 results in Keywords: Marcus theory