News – FG Surface Science – TU Darmstadt

News

News

Here, you can find the latest news about our group.

Publication on Plasma-Engineered Hydroxyl Defects in NiO: A DFT-Supported-Spectroscopic Analysis of Oxygen-Hole States and Implications for Water Oxidation

2026/04/15

Now online

Dr. Harol Moreno Fernández, in collaboration with Dr. Mohammad Amirabbasi from the FG Material Modeling at TU Darmstadt, and in close collaboration with Crizaldo Mempin, Jr. from the Dutch Institute for Fundamental Energy Research, Dr. Garlef Wartner and Dr. Marc F. Tesch from the Max Planck Institute for Chemical Energy Conversion, and Dr. Esmaeil Adabifiroozjaei and Prof. Leopoldo Molina-Luna from the Advanced Electron Microscopy Division at TU Darmstadt, report how plasma-assisted synthesis can be used to tailor hydroxyl defects, Ni vacancies, and oxygen-hole states in NiO thin films relevant to the oxygen evolution reaction. Combining DFT+U with advanced spectroscopy and electrochemical analysis, the study shows that oxygen-rich plasma conditions stabilize vacancy-related ligand-hole states and enhance Ni–O covalency, whereas H2O incorporation promotes local hydroxylation, modifies near-valence-band states, and facilitates transformation toward the OER-active NiOOH phase. These findings establish a plasma-controlled strategy to predefine defect configurations and catalytic functionality in Ni-based oxide thin films.
LEAF certification for the Surface Science Laboratory

2026/04/02

Bronce-level certification for sustainability and efficiency measures

Efforts for reducing the environmental impact of our laboratory infrastructure were rewarded with the Bronce-level LEAF certification.
Redox chemistry of LiCoO2, LiNiO2, and LiNi1/3Mn1/3Co1/3O2 cathodes: Deduced via XPS, DFT+DMFT, and charge transfer multiplet simulations

2026/01/27

Now online

Dr. Maximilian Mellin, fresh doctor from the SSL studied how the electronic structure of Li–transition-metal oxide cathodes evolves during lithium removal during charging, a key process governing battery performance.
Publication on DFT-Guided Operando Raman Characterization of Ni-Oxide-Based Phases Relevant to Electrochemical Systems

2025/11/16

Now online

A phase-resolved analysis of NiO-derived materials relevant to the oxygen evolution reaction, combining ground-state DFT + U calculations with operando and in situ Raman spectroscopy is presented. It demonstrates that the computed vibrational and electronic properties serve as reference points, enabling meaningful correlation with the Raman response of structurally complex, electrochemically conditioned catalysts. By systematically dissecting the signatures of NiO, Ni(OH)2, and NiOOH across distinct crystallographic configurations, they have developed a consistent framework that correlates different NiO phases relevant to the OER, clarifying their metastability.
Publication on Influence of the Metal Support-Catalyst Contact on the Performance of NiO-Based O2 Evolution Electrocatalysts

2025/11/10

Now online

This work highlights the critical role of the metal support layer in modulating the electrocatalytic behavior of NiO thin films for the oxygen evolution reaction. Through comparative analysis of Pt, Au, and Ni support metals, we demonstrate that the interfacial electronic structure governed by band alignment, charge transfer resistance, and surface chemistry directly impacts the kinetic and thermodynamic aspects of OER activity.
Unite! Award Received for Promoting Young Scientists

2025/10/31

Awardees: Jan Philipp Hofmann, Bettina Wagner, and Corinna Caspar-Terizakis

Recognizing their efforts in systematically supporting doctoral scientists, the Unite! award was addressed to Jan Philipp Hofmann, Bettina Wagner, and Corinna Caspar-Terizakis from TU Darmstadt.
The Unite! Award goes to …

2025/10/29

Jan Philipp Hofmann, Bettina Wagner and Corinna Caspar-Terizakis

An alliance like Unite! requires a great deal of commitment and dedication. This year's winners of the Unite! Awards have done so in a particularly remarkable way. Jan Philipp Hofmann, Bettina Wagner and Corinna Caspar-Terizakis from TU Darmstadt received the Unite! Award for their contribution to promoting young scientists.
Dr. Chris Gort Successfully Defended His Doctoral Thesis

2025/10/21

We congratulate Chris for successfully passing his doctoral examination!

On August 26, 2025, Chris confidently defended his doctoral project titled 'Electronic Structure Studies of Nickel iron Based Anodes for Alkaline Water Electrolysis' in front of the examination committee. For his future endeavors we wish him all the best.
Congratulations to Dr. Julia Gallenberger

2025/08/26

We congratulate Julia for successfully passing her doctoral defense

In her successful examination on 26.08.2025, Julia defended her doctoral work on the 'Spectroscopic Analysis of the Formation, Stability, and Transformations of Nickel-based Catalysts for the Oxygen Evolution Reaction'. We wish her only the best for the future career.