Doreen Mollenhauer

University Name

Germany

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Articles (23)

Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sites

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Year:

2025

First-Principles Studies on the Structure and Stability of the Solid Electrolyte Interphase with LiPON in Solid-State Batteries

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Year:

2025

Pyridinium-Benzoxazole-Based Anode Material for Sustainable All-Organic Polymer-Based Batteries

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Year:

2025

Deciphering the Mechanism of On-Surface Dehydrogenative C–C Coupling Reactions

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Year:

2024

Theoretical Investigations and Comparisons of the Amorphous Structures of Adamantane-like Cluster Materials Utilizing Molecular Dynamics Simulations

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Year:

2024

Dualism of Remarkable Magnesium Ion Conduction with Low Activation Energy over a Wide Temperature Range versus Limited Stability of the Hybrid Composite Electrolyte Mg‐MOF‐74/MgX2/Propylene Carbonate

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Year:

2024

Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes

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Year:

2024

Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration

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Year:

2024

Development of Novel Redox‐Active Organic Materials Based on Benzimidazole, Benzoxazole, and Benzothiazole: A Combined Theoretical and Experimental Screening Approach

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Year:

2024

Static theoretical investigations of organic redox active materials for redox flow batteries

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Year:

2024

Degradable bispiperidone derivative amine networks with monomer recovery

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Year:

2024

From Lithium and Sodium Superoxides to Singlet‐Oxygen – Insights into the Mechanism of Dissociation Using SHARC‐MD

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Year:

2024

Insights into molecular cluster materials with adamantane‐like core structures by considering dimer interactions

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Year:

2023

Bonding character of intermediates in on‐surface Ullmann reactions revealed with energy decomposition analysis

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Year:

2023

Theoretical Studies of the Mechanism of Ullmann Coupling of Naphthyl Halogen Derivatives to Binaphtyl on Coinage Metals

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Year:

2023

How Adsorption Affects the Energy Release in an Azothiophene-Based Molecular Solar–Thermal System

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Year:

2023

Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics

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Year:

2022

Unraveling the Electrochemistry of Verdazyl Species in Acidic Electrolytes for the Application in Redox Flow Batteries

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Year:

2022

Adamantanes as White-Light Emitters: Controlling the Arrangement and Functionality by External Coulomb Forces

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Year:

2022

Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations

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Year:

2022

Amorphous Molecular Materials for Directed Supercontinuum Generation

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Year:

2021

Amorphous Molecular Materials for Directed Supercontinuum Generation

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Year:

2021

Front Cover: Amorphous Molecular Materials for Directed Supercontinuum Generation (ChemPhotoChem 12/2021)

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Year:

2021

Collaborators (5)

Andre Schirmeisen

Justus Liebig University

GERMANY

Simone Sanna

Prof.

Justus Liebig University

GERMANY

Ralf Tonner-Zech

Professor for Theoretical Chemistry of complex systems

Leipzig University

GERMANY

Daniel Schröder

Technische Universität Braunschweig

GERMANY

Hermann A. Wegner

GERMANY

Doreen Mollenhauer

Research Interests

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Articles (23)

Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sites

First-Principles Studies on the Structure and Stability of the Solid Electrolyte Interphase with LiPON in Solid-State Batteries

Pyridinium-Benzoxazole-Based Anode Material for Sustainable All-Organic Polymer-Based Batteries

Deciphering the Mechanism of On-Surface Dehydrogenative C–C Coupling Reactions

Theoretical Investigations and Comparisons of the Amorphous Structures of Adamantane-like Cluster Materials Utilizing Molecular Dynamics Simulations

Dualism of Remarkable Magnesium Ion Conduction with Low Activation Energy over a Wide Temperature Range versus Limited Stability of the Hybrid Composite Electrolyte Mg‐MOF‐74/MgX2/Propylene Carbonate

Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes

Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration

Development of Novel Redox‐Active Organic Materials Based on Benzimidazole, Benzoxazole, and Benzothiazole: A Combined Theoretical and Experimental Screening Approach

Static theoretical investigations of organic redox active materials for redox flow batteries

Degradable bispiperidone derivative amine networks with monomer recovery

From Lithium and Sodium Superoxides to Singlet‐Oxygen – Insights into the Mechanism of Dissociation Using SHARC‐MD

Insights into molecular cluster materials with adamantane‐like core structures by considering dimer interactions

Bonding character of intermediates in on‐surface Ullmann reactions revealed with energy decomposition analysis

Theoretical Studies of the Mechanism of Ullmann Coupling of Naphthyl Halogen Derivatives to Binaphtyl on Coinage Metals

How Adsorption Affects the Energy Release in an Azothiophene-Based Molecular Solar–Thermal System

Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics

Unraveling the Electrochemistry of Verdazyl Species in Acidic Electrolytes for the Application in Redox Flow Batteries

Adamantanes as White-Light Emitters: Controlling the Arrangement and Functionality by External Coulomb Forces

Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations

Amorphous Molecular Materials for Directed Supercontinuum Generation

Amorphous Molecular Materials for Directed Supercontinuum Generation

Front Cover: Amorphous Molecular Materials for Directed Supercontinuum Generation (ChemPhotoChem 12/2021)

Collaborators (5)

Andre Schirmeisen

Simone Sanna

Ralf Tonner-Zech

Daniel Schröder

Hermann A. Wegner

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