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Theoretical and Computational Chemistry

Working Paper

Structure of PtRu/Ru(0001) and AgPd/Pd(111) surface alloys: A kinetic Monte Carlo study

David Mahlberg, Sung Sakong, Axel Gross

Version 1 posted 01 November 2021

287

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Theoretical and Computational Chemistry

Working Paper

A combined XPS and computational study of the chemical reduction of BMP-TFSI by lithium

Katrin Forster-Tonigold, Florian Buchner, Joachim Bansmann, R. Jürgen Behm, Axel Gross

Version 1 posted 04 July 2022

292

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Materials Chemistry

Working Paper

MgB2Se4 Spinels (B = Sc, Y, Er, Tm) as Potential Mg-Ion Solid Electrolytes – Partial Ionic Conductivity and the Ion Migration Barrier

Clarissa Glaser, Manuel Dillenz, Kanchan Sarkar, Mohsen Sotoudeh, Zhixuan Wei, Sylvio Indris, Ruben Maile, Marcus Rohnke, Klaus Müller-Buschbaum, Axel Gross, Jürgen Janek

Version 1 posted 02 August 2024

254

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Theoretical and Computational Chemistry

Working Paper

Surface, Interface, Compression and Formation Energies of Bimetallic Ag/Pt(111) and Ag/Pd(111) Surfaces from First Principles

Sung Sakong, Axel Groß, R. Jürgen Behm

Version 1 posted 23 April 2024

104

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Materials Chemistry

Working Paper

Synthesis, Structural Analysis, and Degradation Behaviour of Potassium Tin Chloride as Chloride-Ion Batteries Conversion Electrode Material

Soutam Panja, Yidong Miao, Johannes Döhn, Jaehoon Choi, Simon Fleischmann, Shivaraju Guddehalli Chandrappa, Thomas Diemant, Axel Groß, Guruprakash Karkera, Maximilian Fichtner

Version 1 posted 12 August 2024

130

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Materials Chemistry

Review

Ion mobility in crystalline battery materials

Mohsen Sotoudeh, Sebastian Baumgart, Manuel Dillenz, Johannes Döhn, Katrin Forster-Tonigold, Katharina Helmbrecht, Daniel Stottmeister, Axel Groß

Version 1 posted 03 August 2023

555

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Energy

Working Paper

Unraveling propylene oxide formation in alkali metal batteries

Daniel Stottmeister, Leonie Wildersinn, Julia Maibach, Andreas Hofmann, Fabian Jeschull, Axel Gross

Version 1 posted 10 July 2023

157

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Theoretical and Computational Chemistry

Working Paper

Hot atom chemistry: oxygen at stepped platinum surfaces

Axel Gross

Version 1 posted 29 December 2021

183

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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

87

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Materials Chemistry

Review

Computational screening and descriptors for the ion mobility in energy storage materials

Mohsen Sotoudeh, Axel Gross

Version 1 posted 06 February 2024

186

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Refine Search

36 results in Axel Gross in Authors: Axel Gross

Structure of PtRu/Ru(0001) and AgPd/Pd(111) surface alloys: A kinetic Monte Carlo study

A combined XPS and computational study of the chemical reduction of BMP-TFSI by lithium

MgB2Se4 Spinels (B = Sc, Y, Er, Tm) as Potential Mg-Ion Solid Electrolytes – Partial Ionic Conductivity and the Ion Migration Barrier

Surface, Interface, Compression and Formation Energies of Bimetallic Ag/Pt(111) and Ag/Pd(111) Surfaces from First Principles

Synthesis, Structural Analysis, and Degradation Behaviour of Potassium Tin Chloride as Chloride-Ion Batteries Conversion Electrode Material

Ion mobility in crystalline battery materials

Unraveling propylene oxide formation in alkali metal batteries

Hot atom chemistry: oxygen at stepped platinum surfaces

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

Computational screening and descriptors for the ion mobility in energy storage materials

36 results in Authors: Axel Gross