Iron, upgraded!
Iron is a versatile, ubiquitous, cheap and sustainable transition metal with unique properties and high reactivity. Changes in the local environment modulate the intrinsic properties. In most environments, a broad variety of oxidation and spin states is easily accessible. On one hand, this can result in unfavourable or undesirable properties, on the other hand a change in the environment can be used to improve the reactivity in a targeted manner. The CRC initiative Iron, upgraded! aims at manipulating iron’s environment in such a way that it becomes a selective, versatile and valuable substitute for rare, toxic or critical metals. Three phases are envisioned: (1) Understand Iron, (2) Tune Iron, (3) Optimize Iron. In the first four years, the basic properties of iron and their dependence on the environment will be explored. In the second phase, strategies for a targeted tuning of the coordination sphere will be developed and tested. In the third phase, iron will be optimized with respect to specific properties and an improved stability, selectivity or reactivity. We further aim at transferring new or improved concepts to other 3d-elements.
Second Funding period
Collaborative Research Center 1487, “Iron, upgraded!!”, will receive continued funding starting July 1, 2026!
We are hiring!
For our new funding period starting from July 2026 we have a lot of interesting job positions. Apply now!
Thematic Orientation
Iron will be explored in three different environments, oxidic, (pseudo-)molecular and metallic, to identify the respective inherent properties. We use magnetism, different spectroscopies and catalytic reactions to probe and understand the influence of the environment. This broad perspective coupled with an overarching interpretation allows us to draw application-specific and general conclusions. We envision that this approach enables a future use of iron in a broad variety of applications where iron and its compounds will take over diverse roles and functions: as catalyst, redox or structural promotor, in magnetic or functional materials. To elucidate the interplay of redox properties, selectivity, reactivity and stability, the use of specific and precise analytical methods is mandatory. We will therefore apply and further develop unique and coupled in situ/operando methods and new theoretical approaches.
Why Now?
The aim to upgrade iron is a timely and relevant topic. Several chemical processes and materials are based on rare, expensive, toxic or environmentally harmful metals such as ruthenium, platinum, palladium or lead. There is an urgent demand for innovative and sustainable materials and processes. For example, cheap catalysts are required for the oxygen reduction reaction in fuel cells. Embedded in the right environment, iron is an ideal candidate for this task as well as for several other applications. The CRC Iron, upgraded! conducts basic research as a foundation to realise this vision.
A – Oxidic Environment
A01: Ab initio Modelling of Fe in Molecular, Surface and Bulk Surroundings
A02: Structural Dynamics of Iron Molybdate Catalysts for Alcohol Selective Oxidation Using In Situ and Operando Spectroscopies and Diffraction
A03: Activity-Stability-Transport Correlations of Iron-Molybdate-Based Catalysts in Oxidative Dehydrogenation of Ethanol
A04: Iron-Containing Intermetallic Compounds and Complex Oxides: Properties of Bulk and Oxidized Surfaces
A05E: Exploratory Syntheses of Oxoferrates and Iron Oxide Fluorides in Higher Oxidation States
A06N: Spatially Resolved Operando Characterization for Tuning Iron-Based Catalysts for Oxidative Dehydrogenation Reactions
A07N: Investigating the Effects of Spatial Catalyst Modifications and Elemental Tuning on Fe Based ODH Catalysts by XAS
A08N: Multimodal Characterization of Iron Molybdate Catalysts: From Local Structures to Dynamic Optimization under ODH Conditions
B – (Pseudo) Molecular Environments
B01: Tailored Force Fields of Iron Complexes for the Precise Prediction of Redox Potentials
B02E: Synthesis, Physical and Catalytic Properties of Extended Macrocyclic FeN4 Complexes
B03: Understanding Electronic Structure and Reactivity of Open-Shell Iron Compounds by Solution NMR Spectroscopy
B04: Prediction and Analysis of Magnetic Interactions in Dinuclear Iron Complexes
B05: Combined Operando NMR and UV-Vis Spectroscopic Monitoring of Fe-catalysed Cross Coupling Reactions
B06E: Precisely Embedded Iron/Nitrogen Catalytic Centers in N-Doped Carbon Nanotubes for Electrocatalysis
B07: In Situ and Multi-frequency EPR for FeNC Materials and Model Complexes
B08: Influence of Clusters and Nanoparticles on the Electronic State of Iron in Single-Atom Catalysts of Type FeNC
B09N: Elucidating the Impact of Iron Oxide Nanoclusters on the Catalytic Performance at FeN4 Centers – a Computational Study
B10N: NMR Hyperpolarization with Iron Catalysts
C – Metallic environments
C01: Tailoring Magnetic Properties of Iron by Non-Equilibrium Interstitial Engineering in Thin Films
C02: Interplay Between Magnetism and Crystalline Environments in Fe-Based Intermetallic Compounds
C03: Toward Tetragonalisation of Bulk Fe-Based Alloys with High Defect Population
C04E: In Situ Monitoring of Iron-Catalysed Reactions by High-Field NMR Spectroscopy
C05: Influence of Promoters and Poisons on Iron (Alloy) Nanoparticles for the Selective Hydrogenation of Alkynes to Alkenes
C06: Influence of the Coordination Environment of Fe-Based Materials on the Electrochemical Stability
C07: Influence of Tetrele Atoms as Ligands on the Optical, Magnetic and Redox Beauvoir of Fe
C08: Electronic Structure and Redox Properties of Iron in Different Environments Studied by Valence and Core Level Spectroscopies
C09N: Chemical Potential as Guide to Tune Iron’s Reactivity in Catalysis
