Stefan Zahn

Head of Cross Section Unit QA: Modelling and Simulation

Leibniz Institute of Surface Engineering

Germany

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About

Stefan Zahn is the Head of the Cross Section Unit QA: Modelling and Simulation at the Leibniz Institute of Surface Engineering, Germany. His research focuses on machine learning applications in materials science, deep eutectic solvents, and radiation chemistry. Recent articles include studies on electrolyte properties, optical switching of polyoxovanadates, and nanoparticle behavior during radiolysis. Stefan's work aims to advance the understanding of material interactions and their practical applications in environmental and energy-related technologies.

Articles (10)

Bulk quantities of “helmet” type phthalogens are now achievable with broad variation of their substituents allowing to study their thermal and electrochemical decomposition to CoPcs.

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2024

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2024

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2024

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2024

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2024

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2023

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2022

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2022

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2021

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2021

Collaborators (5)

Ivan A. Moreno-Hernandez

Duke University

UNITED STATES

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Christian Laube

Leibniz Institute of Surface Engineering

GERMANY

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Agnes Schulze

Head of department

Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden eV

GERMANY

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Heinrich Lang

GERMANY

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Kirill Monakhov

Head of Switchable Molecularly Functionalized Surfaces Group

Leibniz Institute of Surface Engineering

GERMANY

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Stefan Zahn

Research Interests

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Articles (10)

Cobalt(<scp>iii</scp>)-containing penta-dentate “helmet”-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization

Immobilization of Bi2WO6 on Polymer Membranes for Photocatalytic Removal of Micropollutants from Water – A Stable and Visible Light Active Alternative

Reversible Optical Switching of Polyoxovanadates and Their Communication via Photoexcited States

Structure and transport properties of LiTFSI-based deep eutectic electrolytes from machine-learned interatomic potential simulations

Radiation Chemistry-Based Molecule Grafting: A Fast Track to Diamond-Based Hybrid Sensors

Efficient Molecular Dynamics Simulations of Deep Eutectic Solvents with First-Principles Accuracy Using Machine Learning Interatomic Potentials

Ion Correlation in Choline Chloride–Urea Deep Eutectic Solvent (Reline) from Polarizable Molecular Dynamics Simulations

Temperature-dependent Li vacancy diffusion in Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub> by means of first principles molecular dynamic simulations

Elucidating the Role of Halides and Iron during Radiolysis-Driven Oxidative Etching of Gold Nanocrystals Using Liquid Cell Transmission Electron Microscopy and Pulse Radiolysis

Radiation-Induced Graft Immobilization (RIGI): Covalent Binding of Non-Vinyl Compounds on Polymer Membranes

Collaborators (5)

Ivan A. Moreno-Hernandez

Christian Laube

Agnes Schulze

Heinrich Lang

Kirill Monakhov

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