Prof. Dr. Doreen Mollenhauer
Projects as principal investigator
1 of 2
- FOR 5499 TP - Molekulares Management von Sonnenenergie - Chemie von MOST-Systemen - Teilprojekt: Computergestützte Modellierung katalytischer Prozesse und Screening-Verfahren von MOST-Verbindungen
01/09/2023 - 31/08/2027
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) - 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)Federal Ministry of Food and Agriculture (BMLEH, BMEL) - 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
German Research Foundation (DFG) - 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 SocietyJournal of Physical Chemistry C
Journal article - Polymer ChemistryChemistry - A European Journal
Journal article- Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes (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 (2024)Theoretical Studies of the Mechanism of Ullmann Coupling of Naphthyl Halogen Derivatives to Binaphtyl on Coinage Metals (2023)
- Journal of Computational Chemistry
Journal article - Development of Novel Redox-Active Organic Materials Based on Benzimidazole, Benzoxazole, and Benzothiazole: A Combined Theoretical and Experimental Screening Approach (2024)
Journal article - Advanced Energy & Sustainability ResearchJournal of Physical Chemistry C
Journal article- From lithium and sodium superoxides to singlet-oxygen - insights into the mechanism of dissociation using SHARC-MD (2024)
- ChemPhysChem
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) (2022)
Journal article - Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration (2024)
- Chemistry of MaterialsarXiv
Journal article - Static theoretical investigations of organic redox active materials for redox flow batteries (2024)
- Progress in Energy
Journal article - How Adsorption Affects the Energy Release in an Azothiophene- Based Molecular Solar-Thermal System (2023)
- Journal of Physical Chemistry Letters
Journal article - Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions (2023)
- Journal of Computational Chemistry
Journal article
Journal article- Adamantanes as white-light emitters: Controlling arrangement and functionality by external Coulomb forces
E-paper - Adamantanes as White-Light Emitters: Controlling the Arrangement and Functionality by External Coulomb Forces (2022)
- Journal of Physical Chemistry C
Journal article - Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis (2022)
- Journal of Computational Chemistry
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