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Project A03

Bond activation and molecular dynamics on metal nanoparticles derived from X-ray spectroscopy

Principal investigators: Markus Gühr, Alexander Föhlisch, Peter Saalfrank

This project aims at establishing microscopic governing principles of optically excited selective and efficient reaction pathways of functionalized thiophenols on metal nanoparticles. A stringent, atomic-level description of the elemental reaction steps on their relevant timescales will be developed, from femtoseconds for electronic excitation and relaxation to pico- and nanoseconds for vibrational energy relaxation and intersystem crossings. Soft X-ray spectroscopy yields atomic level sensitivity on orbital occupation, chemical and spin state on all relevant timescales, which is supported by theory using a combination of quantum chemistry and non-adiabatic molecular dynamics.

Position 1 (ID no. CRC1636A03-1/2023; Prof. Alexander Föhlisch, Helmholtz-Zentrum Berlin für Materialien und Energie):

Responsibilities:

Experimental preparation of samples for solution, colloidal and surfaces anchored moieties, soft X-ray synchrotron spectroscopy and time-resolved x-ray spectroscopy of samples as well as interpretation of data.

Qualifications:

Excellent Master's degree in chemistry, physics or similar at the time of project start. The candidate should be open-minded, communicative and keen to work in an interdisciplinary group of scientists. Ideal candidates have a background in ultrafast science, X-ray spectroscopy, and/or plasmonics. Experience in physical chemistry, colloid science etc. will be helpful.

Position 2 (ID no. CRC1636A03-2/2023; Prof. Markus Gühr, DESY Hamburg):

Responsibilities:

Preparation of isolated gas phase and metal nanoparticle-molecule samples on surfaces, synchrotron spectroscopy of the samples, ultrafast X-ray spectroscopy of samples together with PhD student 1, interpretation of data.

Qualifications:

Excellent Master's degree in chemistry, physics or similar at the time of project start. The candidate should be open-minded, communicative and keen to work in an interdisciplinary group of scientists. Ideal candidates have a background in ultrafast science, X-ray spectroscopy, and/or plasmonics. Experience in physical chemistry, colloid science etc. will be helpful.