PhD Scholarship Position in Surface Physics with Focus on Fundamental Studies of Photon-stimulated Co Operando Spectroscopy and Dft Calculations

Uppsala University, Sweden is inviting excellent candidates to apply for a PhD position in structural chemistry. Eligible candidates should submit the applications before February 28, 2020.

Research projects and work description: The purpose of the project is to study CO adsorption processes on metal oxide surfaces and to investigate how these processes can be tailored for proton-coupled electron transfer reactions for direct reduction of COat oxide surfaces. The project is based on preliminary data and calculations demonstrating a hitherto unexplored photo-stimulated COadsorption mechanism whereby adsorption takes place on the sites of oxidized lattice oxygen surface atoms and a simultaneous reduction of nearby O. Here, we aim to specifically quantify and generalize the reaction mechanism with advanced infrared surface spectroscopy techniques under various experimental conditions ranging from vacuum-based single crystals to ambient pressure nanoparticle systems. We will use DFT calculation methods for charge corrections of potential energy due to interband transitions and interface charge transfer, as well as calculate adsorbate structures and vibrational spectra with methods developed within the research group. The applicant is expected to do experimental studies with operando FTIR spectroscopy and it is desirable that the doctoral student also performs DFT calculation in collaboration with researchers at the Department of Structural Chemistry, Department of Chemistry – ngstrm where the co-supervisor is employed.

Qualification requirements: We are looking for a creative person who is motivated to carry out postgraduate education in the subject area described above, and who has a basic college degree at the master’s level or equivalent (e.g. civil engineering degree) specializing in technical physics, physics, chemical physics, theoretical chemistry, or equivalent. Experience in infrared spectroscopy, surface physics, vacuum technology, quantum chemical calculations (especially DFT) is a merit.

Regulations for doctoral students can be found in the Higher Education Ordinance, Chapter 5, 1-7, and in the University’s rules and guidelines


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