Prof. Dr. Doreen Mollenhauer
Projects as principal investigator
1 of 2
01/09/2023 - 31/08/2027
German Research Foundation (DFG)German Research Foundation (DFG)- FOR 2824 TP - Amorphe molekulare Materialien mit extrem nichtlinearen optischen Eigenschaften - Teilprojekt: Modellierung von Clusterstrukturen und -eigenschaften verschiedener Längenskalen
01/01/2023 - 31/12/2025
German Research Foundation (DFG)Federal Ministry of Food and Agriculture (BMLEH, BMEL) - SPP 2370 TP - Verknüpfung von Katalysatoren, Mechanismen und Reaktorkonzepten für die Umwandlung von Distickstoff durch elektrokatalytische, photokatalytische und photoelektrochemische Methoden ("Nitroconversion") - Teilprojekt: Exploration der Protonenleitfähigkeit in Festkörperelektrolyten für effiziente elektrochemische Niedertemperatur-Ammoniak-Synthese
01/10/2022 - 31/12/2025
German Research Foundation (DFG) - SPP 2248 TP OrgBatt - Polymer-basierte Batterien - Teilprojekt: Entwicklung neuer redoxaktiver Polymere auf Basis von Benzimidazol, Benzoxazol und Benzothiazol – ein kombinierter theoretischer und experimenteller Screening-Ansatz
01/11/2020 - 31/01/2024 - FOREST II - Neuartige Lignin-basierte Elektrolyte für den Einsatz in Redox-Flow-Batterien (FOREST II); Teilvorhaben 7: Quantenmechanische Berechnungen und Degradationsmechanismen
01/08/2020 - 31/12/2023
Projects as co-investigator or project member
- Molekulare Mechanismen der C-C Kopplungsreaktionen: Ein mikroskopischer Einblick in die 'on-surface' chemischen Bindungsprozesse
01/06/2019 - 31/08/2022
German Research Foundation (DFG) - SURMEC - Molekulare Mechanismen der C-C Kopplungsreaktionen: Ein mikroskopischer Einblick in die 'on-surface' chemischen Bindungsprozesse
21/11/2018 - 31/12/2021
German Research Foundation (DFG) - GRK 2204 - Substitutionsmaterialien für nachhaltige Energietechnologien
15/05/2018 - 31/03/2022
German Research Foundation (DFG) - GRK 2204 - Substitutionsmaterialien für nachhaltige Energietechnologien
01/01/2018 - 30/09/2020
German Research Foundation (DFG) - GRK 2204 - Substitutionsmaterialien für nachhaltige Energietechnologien
01/04/2016 - 30/09/2020
German Research Foundation (DFG)
Publications
1 of 5
- Deciphering the Mechanism of On-Surface Dehydrogenative C-C Coupling Reactions (2024)
- Journal of the American Chemical Society
Journal article - Degradable bispiperidone derivative amine networks with monomer recovery (2024)
- Polymer ChemistryJournal of Computational Chemistry
Journal article - Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes (2024)
Journal article - Development of Novel Redox-Active Organic Materials Based on Benzimidazole, Benzoxazole, and Benzothiazole: A Combined Theoretical and Experimental Screening Approach (2024)From lithium and sodium superoxides to singlet-oxygen - insights into the mechanism of dissociation using SHARC-MD (2024)
- Chemistry - A European Journal
Journal article - 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 (2024)
- Advanced Energy & Sustainability ResearchChemPhysChem
Journal article
Journal article- Influence of the Coinage Metal(111) Surface on the Orientation of the σ Hole and the Halogen Bonding Strength of Bromo/Iodobenzene (2024)
- Journal of Physical Chemistry CProgress in Energy
Journal article - Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration (2024)
- Chemistry of Materials
Journal article - Static theoretical investigations of organic redox active materials for redox flow batteries (2024)Theoretical Studies of the Mechanism of Ullmann Coupling of Naphthyl Halogen Derivatives to Binaphtyl on Coinage Metals (2023)
Journal article - How Adsorption Affects the Energy Release in an Azothiophene- Based Molecular Solar-Thermal System (2023)
- Journal of Physical Chemistry LettersarXiv
Journal article - Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions (2023)
- Journal of Computational Chemistry
Journal article - Journal of Physical Chemistry C
Journal article- Adamantanes as white-light emitters: Controlling arrangement and functionality by external Coulomb forces (2022)
- Adamantanes as White-Light Emitters: Controlling the Arrangement and Functionality by External Coulomb Forces (2022)2022)
- Journal of Physical Chemistry CJournal of Computational Chemistry
Journal article - Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis
Journal article
