Research team
Expertise
My research focuses on advancing electrocatalytic strategies for the synthesis of chemical energy carriers and value-added products beyond H2 production or CO2 reduction. Specific aspects include the design, implementation, and mechanistic investigation of custom tailored molecular and material-based electrocatalysts, particularly focusing on group 9 and first-row transition metal complexes, metal-organic frameworks, and nanoparticles. These catalysts are developed to mediate atom-economic and energy-efficient electrocatalytic hydrogenation of various organic compounds, including carbonyls, nitriles, unsaturated hydrocarbons, and aromatics, as well as bio-feedstock valorization, anodic electro-epoxidations, C–H oxidations, and nitrogen activation. At ELCAT, I investigate the combination of process and catalyst development with advanced process engineering in flow electrolyzers, to provide solutions that traditional approaches of targeting exclusively either chemical developments or reactor engineering cannot achieve. In situ and ex situ spectro-electrochemical analysis (UV/Vis, EPR, NMR, Raman spectroscopy) guide these developments through mechanistic understanding, helping to assess active catalyst species during in operando scenarios, as well as dynamic ranges of product distributions and intermediates in our processes. Target applications of my research include the development of fully electrified liquid organic hydrogen carrier (LOHC) systems for reversible energy storage and delivery, paired electrolysis setups for co-generation of anodic value-added products instead of OER for the hydrogen economy, and electrified nitrogen fertilizer production with minimal CO2 footprint through innovative processes.
Interface-Engineered PTFE Modified Ni Electrodes for Sustainable Propylene Oxide Electrosynthesis (E-epox of PO).
Abstract
The electrocatalytic epoxidation of alkenes is a promising and sustainable alternative to conventional oxidation processes, enabling the selective formation of high-value epoxides under mild conditions. This project focuses on the development and evaluation of advanced metal hydroxide material catalysts and their tailored functionalization to mediate electro-epoxidations with H2O that allows parallel H2 production from the remaining protons of water. By systematic modification of material composition, morphology and surface properties, structure–activity relationships that govern catalytic performance, selectivity, and stability will be evaluated and optimized. A central objective is to identify efficient and robust electrocatalysts, capable of driving epoxidation reactions with high faradaic efficiency and minimal overpotential. Initial screening will be conducted in batch electrolysis to rapidly assess catalytic activity across a diverse library of materials. Performance influences of key parameters such as electrolyte composition, applied potential, and substrate scope will be investigated. The most promising catalyst systems will be evolved to continuous-flow electrolysis platforms for improved mass transport, enhanced control over reaction conditions, and to initiate process intensification and scalability opportunities. Special emphasis will be placed on reactor design, electrode architecture, and long-term operational stability under industrially relevant conditions. Among the targeted products, propylene oxide stands out as a key industrial intermediate with broad applications in polymer production, pharmaceuticals, and fine chemicals. By integrating catalyst development with process engineering, the project aims to contribute to the advancement of green oxidation technologies and establish scalable routes toward sustainable epoxide production and cheap H2 by co-production of value-added compounds.Researcher(s)
- Promoter: Halter Dominik
Research team(s)
Project type(s)
- Research Project
Combining Catalyst and Process Development for High Performance Electro-Hydrogenation at Iron Nanoparticle Catalysts.
Abstract
This project targets catalysts and processes for the H2 gas free electro-hydrogenation (e-hydrogenation) of organic compounds with renewable electricity and H2O as the source of hydrogen atoms in flow electrolyzers. Existing e-hydrogenation relies on H+ reduction from often expensive proton sources, has insufficient energy efficiency, and suffers from often low reaction selectivity, due to parasitic H2 evolution. This project aims for new catalysts that activate neutral H2O as a cheap and scalable proton source at low overpotential. A holistic approach, combining catalyst design and process development in flow electrolysis is proposed to tune reaction selectivity and efficiency beyond possibilities of catalyst optimization alone. Comparing catalyst performance in batch and flow conditions, will help to derive guidelines on reaction tuning by process design for e-hydrogenation. E-hydrogenation of acetone to isopropanol as a LOHC couple for reversible energy storage is used as benchmark process. Further targets are e-hydrogenation of bio-feedstocks, alkenes and alkynes.Researcher(s)
- Promoter: Halter Dominik
- Fellow: Oveisi Anahita
Research team(s)
Project type(s)
- Research Project
Electro-Organic Synthesis of Energy Carriers & Value-Added Products.
Abstract
This research program considers H2O and electricity as reagents for electro-organic synthesis, aiming beyond simple H2 or O2 evolution. Electrocatalyst design & mechanistic studies are at the focus, to enable H2 gas-free electro-hydrogenations with H2O in one step. As a second project pillar, anodic electro oxygen-atom transfer reactions (e-OAT) are developed as a replacement for the O2 evolution reaction in traditional water splitting, such that value added anodic products can support economic H2 production at the cathode in paired electrolysis. For project pillar 1, direct electro-hydrogenation with H2O in one step eliminates challenging transport and handling of explosive H2. Due to intrinsic waste heat coupling, it is also thermodynamically favored over existing two-step Power-to-X processes that first liberate H2 and then consume it in a subsequent chemical hydrogenation step. Targeted are e-hydrogenation for reversible energy storage in liquid organic hydrogen carriers (LOHCs), for biomass valorization and in circular economy context to recover amines and alcohols by e-hydrogenation of polyamides and polyurethanes. Two strategies guide this work: firstly, known transfer hydrogenation catalysts (e.g. Ir, Co, and Mo pincer complexes) that use isopropanol or formic acid as H-donor are adapted to work as electrocatalysts that use H2O as sustainable H-donor. Secondly, porphyrin CO2 reduction catalysts (molecules and materials) are derivatized to convert organic substrates with selective hydrogenation of C=O bonds over C=C bonds. Model substrates include alkenes, the acetone / isopropanol LOHC system, the bio-feedstock model 5-HMF, and cinnamaldehyde for chemo-selectivity studies. For project pillar 2, electrocatalytic oxygen atom transfer (e-OAT) reactions are developed, harnessing the O-atom of water for value-added product generation (C=C epoxidation & C–H oxidation) at the anode during electrocatalytic H2 production. In contrast to standard OER, this distributes process costs over two products (e.g. H2 and epoxide), reducing the price for green H2 drastically. This is achieved with cytochrome P450-mimicking porphyrin catalysts that generate reactive metal-oxo species by electro-oxidation in water. Parasitic OER is suppressed by catalyst design, tuning of reaction conditions, and mechanistic considerations. As a future perspective, the aim is to harness the atomically precise reactive sites in porphyrin-based MOF and polymer coated electrodes for secondary coordination sphere tuning in materials. As a general aspect that adds uniqueness to the project, the combination of catalyst-, reaction-, and process design in flow electrolyzers is evaluated, to provide solutions that traditional approaches of targeting exclusively either chemical developments or reactor engineering cannot achieve. Methodically this work is driven by molecular and material catalyst design, using mechanistic insight on reactions, to tune key steps that determine energy efficiency and reaction selectivity, particularly to suppress side reactions HER & OER. Spectro-electrochemistry (UV/Vis, Raman, EPR, NMR, & GI-PXRD) and stoichiometric electro-synthesis of active species help elucidate mechanisms. Reaction optimization is supported by design of experiment (DoE), finding cross-correlations of experimental parameters and ideal conditions with mathematic process models, instead of trial and error.Researcher(s)
- Promoter: Halter Dominik
- Fellow: Halter Dominik
Research team(s)
Project type(s)
- Research Project