Job Announcement PhD- and PostDoc-Positions

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1 Job Announcement PhD- and PostDoc-Positions All projects are funded by the program CATALIGHT CRC/Transregio TRR 234 Light-driven Molecular Catalysts in Hierarchically Structured Materials Synthesis and Mechanistic Studies The CRC/Transregio CATALIGHT addresses fundamental challenges in the design of photocatalytically active materials for solar energy conversion. Inspired by the design principles of natural photosynthesis, CATALIGHT will provide fundamental insights into the performance of molecular photocatalysts embedded in functional and hierarchically structured soft matter materials. To this end, general synthetic strategies are developed to tune the reactivity of molecular light-absorbers and catalysts. Complementary synthetic routes will be established to access functional polymeric matrices for the site-specific binding of the molecular building blocks. In addition, synergistic reactivity and stability control by tuning the molecule-matrix interactions will become possible. Experimental and theoretical analyses across multiple lengthand timescales will be used to rationalize photochemical reactivity and to understand new effects arising from embedding such components within a suitable matrix. Such effects will lead to novel material properties, e.g. materials capable of self-regulating their photocatalytic activity or materials where photocatalytic activity can be repaired both on a molecular and material level. CATALIGHT will lead to new paradigms, which break down the current boundaries between the realms of molecule-based reactivity and bottom-up material design. This will result in fundamentally new, knowledge-guided concepts for light-driven productive chemistry in hybrid materials opening new research opportunities for chemistry, biology and materials science. Projects are carried out either at the Ulm University (Germany), the Friedrich Schiller University Jena (Germany), the University of Vienna (Austria), the Max Planck Institute for Polymer Research Mainz (MPI-P, Germany) and the Leibniz Institute of Photonic Technology Jena (IPHT, Germany). Salaries are competitive (in Germany: TV-L + allowance depending on the candidate's profile, in Austria: praedoc), participation at the Integrated Research Training Group (irtg) and dissertations are usually completed within three years. Equal opportunities are a cornerstone of our staff policy.

2 Requirements Candidates with an MSc or equivalent degree in Chemistry, Physics, Material Science or a related discipline, with an overall grade of at least good, are strongly encouraged to apply. Application Further information about actual projects can be obtained from Dr. Martin Schulz (martin.schulz.1@uni-jena.de) and Dr. Lydia Petermann (lydia.petermann@uni-ulm.de). If you think you fit the job, please send your full application together with a letter of motivation and a minimum of 1 reference letter to lydia.petermann@uni-ulm.de specifying Ref. TRR234-PN in the subject line. Please only apply to max. 2 open positions. A more detailed description to each position is available below. Application Deadline: Spokesperson of the CRC/Transregio at the Coordinating University Prof. Dr. Sven Rau Institute of Inorganic Chemistry I Ulm University Albert-Einstein-Allee 11 D Ulm Phone: Fax: sven.rau@uni-ulm.de Co-Spokesperson of the CRC/Transregio at the Friedrich Schiller University Jena Prof. Dr. Benjamin Dietzek Institute of Physical Chemistry Friedrich Schiller University Jena Helmholtzweg 4 D Jena Phone: Fax: benjamin.dietzek@uni-jena.de Management of the CRC/Transregio at the Coordinating University Dr. Lydia Petermann Institute of Inorganic Chemistry I Ulm University Albert-Einstein-Allee 11 D Ulm Phone: Fax: lydia.petermann@uni-ulm.de

3 Type of Position: PhD (TV-L13, 65%), FSU Jena/IPHT, Germany Research Area: Physical Chemistry Project Investigator (PI): Prof. Dr. Benjamin Dietzek Institute of Physical Chemistry/Department Functional Interfaces Friedrich Schiller University Jena (FSU Jena)/Leibniz Insitute of Photonic Technology (IPHT), Germany TRR234-A1: Strategies for Molecular Repair and Self-regulation in Light-driven Catalysis for Hydrogen Evolution (Dietzek/Rau) The project will strive for developing active repair strategies leading to recycling of the molecular catalyst and creating self-regulating supramolecular light harvesting complexes, which funnel excitation energy to the photocatalyst. Active repair by 1 O 2 has been demonstrated for the [(tbbpy) 2Ru(tpphz)PtI 2](PF 6) 2 system leading to a significantly increased overall TON. More selective and milder active repair mechanisms shall be developed utilizing, e.g. catalytic reoxidation by polyoxometalates. Self-regulating antenna complexes will be incorporated based on hydrogen bonding and ππ-interactions, which disintegrate, e.g. upon changes of ph value. Short description of the Job: Ultrafast in-situ spectroscopy to characterize energy and charge transfer processes in molecular photocatalysts

4 Type of Position: PostDoc (TV-L13, 100%), FSU Jena, Germany Research Area: Molecular Chemistry Project Investigator (PI): Prof. Dr. Kalina Peneva Institute of Organic and Macromolecular Chemistry Friedrich Schiller University Jena (FSU Jena), Germany TRR234-A3: Rylene Dyes as Photosensitizers and Antenna Systems (Peneva) The project focuses on the design of tailored rylene antennas and photosensitizers with broad visible light absorption. Chemical functionalization of the dye will enable coupling to catalytic units, allow soft matter integration, tune the redox potentials and adjust rylene solubility. Additionally, ph-responsive chromophores will be prepared for activity regulation and as local ph probes. Photophysical studies will provide a deeper understanding of the electron transfer processes as well as deactivation and degradation pathways to identify general design guidelines for novel rylene photosensitizers for oxidative and reductive light-driven chemistry. Short description of the Job: Applications are invited for a Postdoctoral Research Associate in Organic Chemistry to work under the supervision of Professor Kalina Peneva on a research project for a period of 24 months. This work is part of a large-scale collaborative research center Catalight that will investigate the elemental processes of photocatalytic ensembles embedded in various soft-matter matrices. CATALIGHT encompass leading experts in molecular and macromolecular synthesis, materials characterization and theoretical modelling from Ulm University, Friedrich-Schiller-University Jena, Max-Planck-Institute of Polymer Research, Mainz and Vienna University to cover all aspects required for a truly fundamental understanding of the underlying mechanisms in photocatalytic water splitting. The candidate should hold a PhD in Chemistry or have submitted a thesis prior to taking up hers/his appointment. The research requires a strong background in organic chemistry, particularly relevant to the preparation and characterization of organic photosensitizers, together with an interest in photochemistry, fluorescence and molecular design. Solid knowledge of photocatalysis, photochemistry and their application in materials sciences will be an advantage.

5 The candidate should be fluent in English, be able to integrate in a team, work independently and have good organizational as well as communication skills. Scientific curiosity with an open attitude to work interdisciplinary in the framework of international collaborations is also expected in the framework of such large-scale projects.

6 Type of Position: PostDoc (TV-L13, 100%), UUlm, Germany Research Area: Molecular Chemistry and Catalysis Project Investigator (PI): Prof. Dr. Carsten Streb Institute of Inorganic Chemistry I Ulm University (UUlm), Germany TRR234-A4: Covalently Linked Photosensitizer-Catalyst Dyads for One-step Materials Integration (Rau/Streb) The project will develop design routes to link molecular PS with molecular CATs for the HER and WOC. Stability and reactivity of the dyads in light-driven HER and WOC catalysis will be studied and chemical optimization will be used to improve CAT performance. As PS, noble metal complexes are used, where the ligand environment features bridging ligands to the catalyst, anchoring ligands to bind to soft matter substrates and redox-tuning ligands. As catalysts, we will explore noble metal complexes and molecular metal oxides/sulfides. Short description of the required skills: Ideally, the candidate should have experience in the design, synthesis and characterization of molecular (light-driven) catalysts for water oxidation and / or hydrogen evolution. Skills in organic and/or inorganic/metal complex synthesis, component characterization (optical spectroscopy, X-ray diffraction), mechanistic studies (spectroscopy, electro- and / or photocatalysis) and reaction design and optimization are required. Leadership skills to manage a research sub-group as well as language and interpersonal skills for working in an international research group are desirable.

7 Type of Position: PhD (TV-L13, 65%), FSU Jena/IPHT, Germany Research Area: Physical Chemistry Project Investigator (PI): Prof. Dr. Benjamin Dietzek Institute of Physical Chemistry/Department Functional Interfaces Friedrich Schiller University Jena (FSU Jena)/Leibniz Insitute of Photonic Technology (IPHT), Germany TRR234-B6: Molecular Functionalization of Carbon Nitride Polymers for Light-driven Water Splitting (Beránek/Dietzek/Jacob) This project develops a fundamental mechanistic understanding of the interaction of polymeric carbon nitride (CN x)-based materials with molecular redox catalysts and molecular photosensitizers. The project will focus on elucidating factors governing the dynamics of charge separation, charge recombination and catalytic turnover in HER and WOC catalysis. The interdisciplinary approach will yield design rules for the development of molecularly functionalized photoactive CN x materials, and advance our understanding of the fundamental advantages and bottlenecks of CN x-based systems for light-driven oxidative and reductive chemistry. Short description of the Job: Photoinduced dynamics in photoelectrodes based on molecularly functionalized graphitic carbon nitrides

8 Type of Position: PhD (TV-L13, 65%), UUlm, Germany Research Area: Molecular Chemistry Project Investigator (PI): Prof. Dr. Max von Delius Institute of Organic Chemistry II and Advanced Materials Ulm University (UUlm), Germany TRR234-B7: Carbon Nanomembranes as Asymmetric, Two-dimensional Matrices for the Immobilization and Dynamic Covalent Regeneration of Molecular Photosensitizers and Hydrogen Evolution Catalysts (Turchanin/von Delius) The project aims at the development of photocatalytic materials consisting of carbon nanomembranes (CNMs), molecular photosensitizers (PSs) and molecular, cobalt-based catalysts (CAT) for HER catalysis. This includes studies of previously unexplored, photocatalytically relevant properties of CNMs, the preparation and investigation of proof of principle photocatalytic devices, in which PS and CAT are covalently immobilized on the CNM, and exploration of the regeneration of inactive CNM components by means of dynamic covalent exchange reactions. Short description of the Job: Synthesis of novel cobalt-based catalysts for light-driven hydrogen evolution, development of immobilization protocols, investigation of photocatalytic activity Required Skills: sound knowledge of organic and inorganic synthesis methods proven experience in organic multi-step synthesis (including methods for purification and structure elucidation) team player proficient in English

9 Type of Position: PhD (TV-L13, 65%), IPHT/FSU Jena, Germany Research Area: Physical Chemistry Project Investigator (PI): Prof. Dr. Jürgen Popp Department Spectroscopy and Imaging/Institute of Physical Chemistry Leibniz Institute of Photonic Technology (IPHT)/Friedrich Schiller University Jena (FSU Jena), Germany TRR234-C2: Multi-spectroscopic Correlation Analysis of Electronic and Structural Changes During Homogenous and Heterogeneous Catalytic Activity (Mizaikoff/Popp) The project develops 2D correlation spectroscopy utilizing a range of spectroscopic methods and different external stimuli to unravel mechanistic details of photocatalytic processes, i.e. formation of catalytically active species, identification of intermediates and degradation pathways. Furthermore, a catalyst characterization system is established enabling in situ continuous monitoring of the catalyst activity via molecular spectroscopies in a miniaturized sensing format combining IR, Raman, and luminescence. The project provides in operando information on the reactivity, stability and degradation mechanism of molecular photocatalysts. Short description of the Job: The goal of this project is to develop and apply 2D correlation (micro)spectroscopy approaches to study soft matter integrated catalysts. In this context the development of homo and hetero 2D correlation microscopy utilizing spatially resolved Raman and IR measurements on catalyst systems responding to stimuli such as temperature, illumination and reaction time takes center stage. Overall, the 2D correlation (micro)spectroscopy studies aim for unraveling mechanistic details of catalytic processes such as identification of intermediates, formation of catalytically active species, identification of degradation products and pathways in solution and soft matter matrices. Required Skills: A Master s degree (or equivalent) in physical chemistry, physics, optics/photonics or a related discipline Solid knowledge of optical spectroscopy/microscopy and their application in materials sciences Excellent technical skills in laser (micro)spectroscopy with focus on vibrational spectroscopy Enthusiasm to play an active role in the interdisciplinary research team of CataLight Highly motivated and creative personalities Excellent written and oral communications skills in English

10 Position: 2 PhD (praedoc, 75%), University of Vienna, Austria Research Area: Theory Project Investigator (PI): Prof. Dr. Leticia González Institute of Theoretical Chemistry University of Vienna (UVienna), Austria TRR234-C3: Watching a Catalyst Function: Theoretical Insights into Water Oxidation on Mn-V Clusters Embedded in Soft Matter Matrices (González) The project will simulate catalyst-photosensitizer assemblies for efficient water oxidation embedded in functionalized polymer matrices. The oxidation process will be initiated by electronic excitation of organic and metal-based photosensitizers covalently linked to a polymer matrix. Mechanistic insights are obtained by state-of-the-art stationary and dynamical calculations. The project will investigate the mechanism of photosensitizer excitation, study electron transfer between catalyst and photosensitizer, and photosensitizer and electron acceptor. The project investigates water binding at the catalytic site and the mechanisms which lead to water oxidation and O 2 formation. Short description of the Job: Within this project we aim at simulating and enable design of catalyst-photosensitizer assemblies embedded in functionalized polymer matrices able to promote efficient photoinduced water oxidation. To this aim, electronic structure methods, molecular dynamics and non-adiabatic techniques will be used and further developed as necessary. Required Skills: A Master s degree (or equivalent) in chemistry or a related discipline Solid knowledge of theoretical chemistry, with emphasis on excited states and the simulation of complex systems with multiscale techniques Ability to think and work independently Excellent communication skills and willingness to work in close cooperation with the interdisciplinary research team of CataLight Highly motivated and creative personalities Excellent written and oral communications skills in English

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