Publications by authors named "Axel Gross"

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Regulating Solvent Co-Intercalation in Bi-Layered Vanadium Oxides for Zinc Batteries by Nanoconfinement Chemistry.
Haocheng Guo, Mohsen Sotoudeh, Sri Rezeki, Yang Hu, Robert Leiter

Angew Chem Int Ed Engl· November 2025

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Cobalt Borate Complex With Tetrahedrally Coordinated Co- Promotes Lithium Superoxide Formation in Li-O Batteries.
Shivaraju G Chandrappa, Katrin Forster-Tonigold, Vasantha A Gangadharappa, Pavithra Kannan, Kunkanadu R Prakasha

Small· July 2025

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Nanoconfinement Geometry of Pillared VO Determines Electrochemical Ion Intercalation Mechanisms, Storage Sites, and Diffusion Pathways.
Jameela Karol, Charles O Ogolla, Mohsen Sotoudeh, Manuel Dillenz, Maciej Tobis

ACS Nano· July 2025

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Data-Driven Site Occupancy Statistics in Cubic Prussian Blue.
Sebastian Baumgart, Axel Groß, Mohsen Sotoudeh

ACS Phys Chem Au· July 2025

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Uncovering the Early-Stage Intercalation Mechanism in Graphite-Based Anode Materials.
Jafar Azizi, Axel Groß, Holger Euchner

ACS Appl Mater Interfaces· June 2025

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High Room-Temperature Magnesium Ion Conductivity in Spinel-Type MgYbSe Solid Electrolyte.
Clarissa Glaser, Mohsen Sotoudeh, Manuel Dillenz, Kanchan Sarkar, Jasmin S Bark

Chem Mater· May 2025

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Decomposition of Binary Mixtures of DMC/EC, EMC/EC, and DEC/EC on Potassium Surfaces; GC, XPS, and Calculation.
Leonie Wildersinn, Daniel Stottmeister, Fabian Jeschull, Axel Groß, Andreas Hofmann

ACS Appl Mater Interfaces· February 2025

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Overcoming Ion Trapping in Chevrel Phase Compounds via Tailored Anion Substitution: An Integrated Study of Theory, Synthesis, and In Operando Techniques for Reversible Aqueous Zn-Ion Batteries.
Yuanshen Wang, Katharina Helmbrecht, Weihao Li, Manuel Dillenz, Yejun Wang

ACS Appl Mater Interfaces· September 2024

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Computational Investigation of Carbon Based Anode Materials for Li- and Post-Li- Ion Batteries.
Jafar Azizi, Axel Groß, Holger Euchner

ChemSusChem· July 2024

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Stability, electronic properties and CO adsorption properties of bimetallic PtAg/Pt(111) surfaces.
Luis A Mancera, Axel Groß, R Jürgen Behm

Phys Chem Chem Phys· July 2024

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Solution of the structure of the high-coverage CO layer on the Ru(0001) surface-A combined study by density functional theory and scanning tunneling microscopy.
Hannah Illner, Sung Sakong, Axel Groß, Joost Wintterlin

J Chem Phys· July 2024

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Nanosized Chevrel phases for dendrite-free zinc-ion based energy storage: unraveling the phase transformations.
Amr Elgendy, Athanasios A Papaderakis, Andinet Ejigu, Katharina Helmbrecht, Ben F Spencer

Nanoscale· July 2024

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Metal-water interface formation: Thermodynamics from ab initio molecular dynamics simulations.
Fabiola Domínguez-Flores, Toni Kiljunen, Axel Groß, Sung Sakong, Marko M Melander

J Chem Phys· July 2024

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Sodium Triflate Water-in-Salt Electrolytes in Advanced Battery Applications: A First-Principles-Based Molecular Dynamics Study.
Majid Rezaei, Sung Sakong, Axel Groß

ACS Appl Mater Interfaces· June 2024

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Pd-Catalyzed Oxidative C-H Arylation of (Poly)fluoroarenes with Aryl Pinacol Boronates and Experimental and Theoretical Studies of its Reaction Mechanism.
Yudha P Budiman, Miftahussurur Hamidi Putra, Muhammad R Ramadhan, Raiza Hannifah, Christian Luz

Chem Asian J· April 2024

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Unraveling Propylene Oxide Formation in Alkali Metal Batteries.
Daniel Stottmeister, Leonie Wildersinn, Julia Maibach, Andreas Hofmann, Fabian Jeschull

ChemSusChem· February 2024

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Prediction of Strong Solvatochromism in a Molecular Photocatalyst.
Miftahussurur Hamidi Putra, Benedikt Bagemihl, Sven Rau, Axel Groß

Chemistry· January 2024

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Improving rechargeable magnesium batteries through dual cation co-intercalation strategy.
Ananyo Roy, Mohsen Sotoudeh, Sirshendu Dinda, Yushu Tang, Christian Kübel

Nat Commun· January 2024

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Molecular Modeling of Water-in-Salt Electrolytes: A Comprehensive Analysis of Polarization Effects and Force Field Parameters in Molecular Dynamics Simulations.
Majid Rezaei, Sung Sakong, Axel Groß

J Chem Theory Comput· September 2023

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Fluorine-Substituted Halide Solid Electrolytes with Enhanced Stability toward the Lithium Metal.
Priya Ganesan, Mervyn Soans, Musa Ali Cambaz, Ramon Zimmermanns, Ritambhara Gond

ACS Appl Mater Interfaces· August 2023

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Comparing Ab Initio Molecular Dynamics and a Semiclassical Grand Canonical Scheme for the Electric Double Layer of the Pt(111)/Water Interface.
Jun Huang, Yufan Zhang, Mengru Li, Axel Groß, Sung Sakong

J Phys Chem Lett· March 2023

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Stability of Magnesium Binary and Ternary Compounds for Batteries Determined from First Principles.
Mohsen Sotoudeh, Axel Groß

J Phys Chem Lett· November 2022

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Ab Initio Simulations of Water/Metal Interfaces.
Axel Groß, Sung Sakong

Chem Rev· June 2022

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FAIR data enabling new horizons for materials research.
Matthias Scheffler, Martin Aeschlimann, Martin Albrecht, Tristan Bereau, Hans-Joachim Bungartz

Nature· April 2022

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Descriptor and Scaling Relations for Ion Mobility in Crystalline Solids.
Mohsen Sotoudeh, Axel Groß

JACS Au· February 2022

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