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Catalysis

Working Paper

Polaronic competition triggers the H2O2 evolution on perovskite oxides during water oxidation

Mohsen Sotoudeh, Axel Groß

Version 1 posted 10 March 2025

132

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Theoretical and Computational Chemistry

Working Paper

Degradation of a water-in-salt electrolyte at graphite and Na metal electrodes from first principles

Majid Rezaei, Axel Groß

Version 1 posted 14 October 2024

186

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Theoretical and Computational Chemistry

Working Paper

Data-driven site occupancy statistics in cubic Prussian Blue

Sebastian Baumgart, Axel Groß, Mohsen Sotoudeh

Version 1 posted 09 December 2024

132

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Theoretical and Computational Chemistry

Working Paper

Proximity Effects in Electronic Metal-Support Interactions: O-Vacancy Formation and CO adsorption on Ru/ZrO2 Model Catalysts

Mengru Li, Axel Groß, R. Juergen Behm

Version 1 posted 21 January 2025

129

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Materials Chemistry

Working Paper

Ca mobility in NASICON battery materials studied from first principle

Katharina Helmbrecht, Axel Gross

Version 1 posted 21 November 2024

170

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Physical Chemistry

Working Paper

Reaction between the Ionic Liquid BMP-TFSI and Li: Comparison between Monolayer Films and Thick Multilayer Films on Graphite (0001

Katrin Forster-Tonigold, Florian Buchner, Axel Groß, R. Juergen Behm

Version 1 posted 03 March 2025

88

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Theoretical and Computational Chemistry

Working Paper

Unraveling the Intricacies of Surface Salt Formation on Mg(0001): Implications for Chloride-Ion Batteries

Kanchan Sarkar, Darius Hübner, Daniel Stottmeister, Axel Gross

Version 1 posted 04 October 2023

211

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Physical Chemistry

Working Paper

Metal–Water Interface Formation: Thermodynamics from Ab-Initio Molecular Dynamics Simulations

Fabiola Domínguez-Flores, Toni Kiljunen, Axel Groß, Sung Sakong, Marko M. Melander

Version 2 posted 03 July 2024

880

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Theoretical and Computational Chemistry

Working Paper

Sodium Triflate Water-in-Salt Electrolyte in Advanced Battery Applications: A First-principles Based Molecular Dynamics Study

Majid Rezaei, Sung Sakong, Axel Groß

Version 1 posted 25 January 2024

345

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Catalysis

Working Paper

In Search of the Active Sites for the Selective Catalytic Reduction on Tungsten-Doped Vanadia Monolayer Catalysts supported by TiO2

Mengru Li, Sung Sakong, Axel Gross

Version 1 posted 05 April 2021

491

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Refine Search

41 results in Axel Groß in Authors: Axel Groß

Polaronic competition triggers the H2O2 evolution on perovskite oxides during water oxidation

Degradation of a water-in-salt electrolyte at graphite and Na metal electrodes from first principles

Data-driven site occupancy statistics in cubic Prussian Blue

Proximity Effects in Electronic Metal-Support Interactions: O-Vacancy Formation and CO adsorption on Ru/ZrO2 Model Catalysts

Ca mobility in NASICON battery materials studied from first principle

Reaction between the Ionic Liquid BMP-TFSI and Li: Comparison between Monolayer Films and Thick Multilayer Films on Graphite (0001

Unraveling the Intricacies of Surface Salt Formation on Mg(0001): Implications for Chloride-Ion Batteries

Metal–Water Interface Formation: Thermodynamics from Ab-Initio Molecular Dynamics Simulations

Sodium Triflate Water-in-Salt Electrolyte in Advanced Battery Applications: A First-principles Based Molecular Dynamics Study

In Search of the Active Sites for the Selective Catalytic Reduction on Tungsten-Doped Vanadia Monolayer Catalysts supported by TiO2

41 results in Authors: Axel Groß