Contact

Porträt Dr. Müller, Katharina; FWOG

Photo: André Wirsig

Dr. Katharina Müller

Head Surface Processes
k.muellerAthzdr.de
Phone: +49 351 260 2439

Department of Surface Processes

The why? The how? The what?

The ultimate goal of our research, driven by scientific curiosity, is to gain fundamental and independent knowledge of the (geo)chemistry and environmental fate of long-lived radionuclides (RNs). One prominent and socially important application is the safe disposal of radioactive waste, to aid future generations in the responsibility of dealing with “our” legacy from energy production in nuclear reactors.

For this purpose we provide the radiochemical knowledge, namely structural and mechanistic data of important mobilizing and immobilizing reactions of RNs in solution, at interfaces, and in solids.

Our particular focus is using a variety of established and advanced microscopic and spectroscopic techniques, to accurately describe complex formation reactions and complex structures that govern RN interactions in the geosphere. In addition, we investigate the creation and chemical speciation of activation products in materials from nuclear power plants in the context of their safe decommissioning.

As part of a value chain, the derived structural information forms a sound basis for a reliable thermodynamic description of the investigated systems, which can be integrated in thermodynamic databases. The thermodynamic work is done in close collaboration with the department of Actinide thermodynamics.

Foto: Forschungsfelder der Abteilung Grenzflächenprozesse ©Copyright: Dr. Katharina Müller

Our core competencies

  • Chemistry of long-lived RNs – Expertise in handling RNs, ranging from fission- and activation products to transuranium elements, and access to radiation safety labs.
  • Structural characterization – Expertise in applying and coupling spectroscopic and microscopic as well as diffraction techniques for accessing molecular information.
  • Thermodynamic description of RN complexes – Using macroscopic, spectroscopic, and calorimetric information of reactant-water-surface phenomena as basis for the derivation of surface complexation models and their thermodynamic parameters.

Research fields

  • Coordination chemistry of RNs in aqueous solution and in human artificial biofluids, e.g. WRaP project.
  • Molecular characterization of RN reactions at natural and engineered mineral-water interfaces, e.g. REDOX, RULET and TRANSFER projects.
  • Environmental technetium chemistry., e.g. Young Investigator Group TecRad.
  • Experimental support for calculations of neutron fields and the resulting activities close to nuclear reactors, e.g. EBENE project.

Latest Publication

Elucidating the interaction of amino acids with selenium nanomaterials using density functional theory calculations and Liquid Chromatography-Mass Spectrometry

Dixit, R.; Jordan, N.; Tsushima, S.; Jain, R.

Abstract

Biogenic selenium nanoparticles (BioSeNPs) are inherently capped with proteins. The release of Se from BioSeNPs depends on its interaction with the protein corona. This understanding is vital for its application in healthcare, agriculture or food science. Nevertheless, the exact mechanisms remain unknown due to protein complexity and selenium cluster size variations. Investigating interactions between selenium and individual amino acid monomers represents a critical first step; however, no study has ever been carried out. This study evaluated the interaction of selenium nanoparticles with representative amino acids from major structural classes, that is, cysteine, methionine, histidine, lysine, glutamic acid, and tryptophan. Adsorption studies were performed at various concentrations to understand their adsorption capacity, followed by colloidal stability assessments via zeta potential. Histidine and lysine exhibited 100 % adsorption at 1:1 and 1:2 Se:amino acid concentration ratios, whereas cysteine showed 50 % adsorption at 1:1 ratio. Highly stable colloidal nanoparticles (<–30 mV zeta potential) were obtained with histidine, lysine, and tryptophan across all tested concentrations. Raman spectroscopy revealed that all amino acid-capped nanoparticles were predominantly trigonal, though amorphous selenium was also detected with lysine and histidine. Density functional theory (DFT) calculations demonstrated strong interactions for cysteine, methionine, and histidine via sulfur and imidazole ring, respectively. Lysine and glutamic acid interacted through side-chain amine and carboxylic groups, respectively, while tryptophan interaction involved its aromatic ring.

Keywords: Interaction mechanism; amino acids; surface corona; selenium nanoparticles; Density Functional Theory

Permalink: https://www.hzdr.de/publications/Publ-43589


More publications

A list of publications can be found here.

Research groups

Currently running third-party funded projects

  • Interactions of radionuclides with organophosphates (WRaP) started 10/2026, BMFTR
  • Experimentally supported calculations of neutron fields and the resulting activities in spaces far from the reactor (EBENE) started: 04/2024, BMFTR
  • Interactions of technetium with microorganisms, metabolites and at the mineral-water interface – Radioecological considerations (TecRad) started: 07/2022, BMFTR
  • Redox reactivity of selenium in environmental geomedia (REDOX) started: 06/2022, ANDRA
  • Retention and solubility of dose-relevant radionuclides under the reducing near-field conditions of a repository in clay or crystalline rock (RULET) started 11/2024, BMUKN
  • Graduate School TRANSFER: Training and Research Academy for Nuclear Safety and Future Expertise on Geological Repository Systems (Endlager-Kolleg), started 04/2026, BMFTR

An overview of finished projects can be found here.

Team

Foto: Surface processes department

"Surface processes" department

Surface Processes

Head

NameBld./Office+49 351 260Email
Dr. Katharina Müller801/P2482439
k.muellerAthzdr.de

Employees

NameBld./Office+49 351 260Email
Dr. Astrid Barkleit801/P2073136
2512
2518
a.barkleitAthzdr.de
Aline Chlupka801/P2033198
2518
2523
a.chlupkaAthzdr.de
Dr. Sebastian Friedrich801/P2522076
s.friedrichAthzdr.de
Dr. Norbert Jordan801/P2182148
n.jordanAthzdr.de
Dr. Mario Löw801/P3523154
m.loewAthzdr.de
Zarina Salkenova801/P2543487
z.salkenovaAthzdr.de
Stephan Weiß801/P3162758
2523
s.weissAthzdr.de
Maud Emilie Zilbermann801/P2543487
m.zilbermannAthzdr.de

"TecRad" Wechselwirkung von Technetium mit Mikroorganismen, Metaboliten und an Mineral-Wasser-Grenzflächen - Radioökologische Betrachtungen

NameBld./Office+49 351 260Email
Dr. Natalia Mayordomo Herranz801/P2522076
n.mayordomo-herranzAthzdr.de
Caroline Balas801/P2542251
c.balasAthzdr.de
Irene Cardaio801/P2542251
i.cardaioAthzdr.de
Dr. Marcos Felipe Martinez Moreno3154
m.martinez-morenoAthzdr.de
Vijay Kumar Saini801/P3523328
v.sainiAthzdr.de

Alumni

Name at HZDR
Irene Cardaio Ph.D. student
Daniel Butscher Ph.D. student
Heidrun Neubert Lab assistant
Sara E. Gilson PostDoc
Christa Müller Lab assistant
Quirina Isabella Roode-Gutzmer Ph.D. student
Isabelle Jessat Ph.D. student,
gratuated 2023
Maximilian Demnitz Ph.D. student,
graduated 2022
Diana Marcela Rodriguez Hernandez Ph.D. student,
graduated 2021
Henry Lösch Ph.D. student,
graduated 2021
Manuel Eibl Ph.D. student,
graduated 2020
Susanne Lehmann Ph.D. student,
graduated 2020