Postdoctoral Researcher (m/f/x) – First-Principles Core-Level Spectroscopy of Functional Interfaces

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Faculty of Physics and Astronomy:

Chair of Theoretical Physics / Computational Design of Functional Interfaces

In order to fill a fixed-term position in part-time, full-time (39.83 hours/week = 100%) at the earliest possible date, we are looking for 1

Postdoctoral Researcher (m/f/x) – First-Principles Core-Level Spectroscopy of Functional Interfaces

The successful applicant (m/f/x) will join the research group of Prof.

Silvana Botti at the Research Center Future Energy Materials and Systems (RC FEMS) and the Ruhr University Bochum (RUB).

The group develops first-principles methods to describe electronic excitations, spectroscopic signatures, and structure–property relations in materials and at functional interfaces.

Core-level spectroscopies — X-ray absorption (XAS/XANES), X-ray photoelectron spectroscopy (XPS), and core-loss electron energy-loss spectroscopy (EELS/ELNES) — are among the few experimental probes that are element-specific and, at the same time, sensitive to the local chemical environment of the excited atom.

Because the core hole is strictly localised, the resulting spectral fine structure encodes coordination, charge transfer, oxidation state, and local magnetic order at the single-atom level.

Turning this sensitivity into quantitative structural information, however, requires theory: the interpretation of measured spectra rests on the accurate ab initio description of core-hole effects, core-exciton binding, multiplet structure, and electronic correlation.

Existing approaches have been developed and validated largely for bulk compounds, whereas the systems of interest for energy conversion and catalysis are surfaces, interfaces, and defects, where symmetry breaking, hybridisation, and local charge redistribution reshape the spectra.

The aim of this position is to close that gap.

The successful candidate will develop and extend first-principles methods for core-level spectroscopy and establish their predictive accuracy for functional interfaces, including systems containing correlated and magnetic transition-metal elements.

The developments will be implemented in existing electronic-structure and spectroscopy codes, released as documented open-source software, and validated against experimental spectra measured by partners at RUB and within RC FEMS.

In perspective, these methods will provide the basis for using computed core-level spectra as fingerprints of local atomic arrangements at chemically complex alloy surfaces — an application currently being prepared with experimental groups on campus — so that the candidate will help shape the scientific direction of a planned collaborative research programme from the start.

The newly founded Research Center focuses on developing innovative materials and systems for sustainable energy applications.

The center’s research areas include photovoltaics, thermoelectricity, energy storage, fuel cells, and sustainable chemical processes, among others.

Its interdisciplinary approach involves collaborations between physicists, chemists, engineers, and material scientists to address the challenges of transitioning to a low-carbon economy.

The center also offers opportunities for graduate students and postdoctoral researchers to participate in cutting-edge research projects and receive advanced training in the field of energy materials and systems.

The chair of Prof.

Botti is affiliated with the Faculty of Physics and Astronomy of the Ruhr University Bochum.

This faculty is a leading research and teaching institution in the fields of experimental and theoretical physics and astronomy, with a focus on condensed matter physics, astrophysics, and particle physics.

Scope:

part-time, full-time

Duration:

fixed-term,

2 Years

Start:

at the earliest possible date

Apply by:

2026-10-20

The successful candidate (f/m/x) will