Postdoctoral Scholarship in Energy Engineering with Special Emphasis on Oxidation of Carbon Nanostructures: Quantum Chemistry

Luleå University of Technology is in strong growth with world-leading competence in several research areas. We shape the future through innovative education and ground-breaking research results, and based on the Arctic region, we create global social benefit. Our scientific and artistic research and education are conducted in close collaboration with international, national and regional companies, public actors and leading universities. Luleå University of Technology has a total turnover of SEK 1.9 billion per year. We currently have 1,840 employees and 17,670 students.

In the coming years, multi-billion investments will be made in large projects in Northern Sweden to create a fossil-free society both nationally and globally. Luleå University of Technology is involved in several of these cutting-edge research projects and in the societal transformation that they entail. We offer a broad range of courses and study programmes to match the skills in demand. We hope that you will help us to build the sustainable companies and societies of the future.

The Subject of Energy Engineering at Luleå University of Technology (LTU) invites highly motivated candidates interested in conducting research on: Quantum chemistry modelling of the oxidation of carbon nanostructures.

Description of the research subject
The subject of Energy Engineering at the Division of Energy Science belongs to the Department of Engineering Sciences and Mathematics. At the subject of Energy Engineering, we work closely with companies/industries in both research and student projects. The research conducted has high international standards, and we collaborate with researchers around the world.

Energy engineering includes the development of technologies and processes for sustainable energy supplies.  The research focuses on bioenergy technologies and energy efficient use in industry and society. We coordinate or participate in many research programs and projects funded by, e.g., Swedish Energy Agency and Swedish Research Council.

Framework and duration of the scholarship
Controlling the formed amount and nanostructure of carbon nanomaterial, such as graphene nanoplates, carbon nanotubes, carbon black, and soot, via oxidative processes is essential in many different fields ranging from emissions control (soot) to production of bulk chemical (carbon black), and advanced nanomaterials (graphene, carbon nanotubes). However, owing to the large heterogeneity of carbon nanomaterials in terms of constituent carbon allotropes and heteroatoms, the evolution of oxidation mechanisms at the nano-to-atomic scale have to date not been explored in detail. In situ electron microscopy performed either in the scanning electron microcopy or in the transmission electron microscopy are used by us to understand the dynamic oxidation process.

The first task is to develop a molecular dynamic (MD) simulation model for the oxidation fundamental carbon materials (graphene flakes, multi wall carbon nanotubes, nanodiamonds) that simulates to progress of oxidation atom-by-atom. Experimental results are available and developed model will perform simulation of the oxidation with the same process conditions as in the in-situ TEM. Hopefully, the MD simulation can then help to explain the experimentally observed phenomena. The next step is to add a catalyst particle to the system. We start with iron oxide nanoparticles since experimental results are already available and it is a relative clean system. An interesting question to answer is how the oxidation takes place at the interface between the carbon material and the iron oxide nanoparticle. Here density function theory (DTF) calculation can help to find the appropriate reaction pathway. If these steps are successfully the next step is to start investigating the oxidation of the metal containing soot particles.

Qualifications
To qualify for the scholarship, you must have a Ph.D., a doctoral degree, or a foreign degree equivalent to a Ph.D. in Engineering Physics, Nanotechnology, Chemical Engineering, Energy Engineering, Material Sciences, or related subjects. Applicants finishing a Ph.D. within a few months are also encouraged to apply. Please note that the doctoral degree cannot be older then 5 years.

It is desirable that the applicant has documented experience and abilities in the following areas (listed by the order of importance). Please make sure to explicitly refer to these points in the letter of motivation.

Qualifications:

• Documented knowledge in quantum mechanical modelling of chemistry (MD and/or DFT)

• Documented experience in producing scientific publications,
• Good knowledge in the English language and good oral and written proficiency,
• A good team player with the ability to take initiatives.

Given equal qualification, priority will be given to the under-represented gender.

Information
The scholarship is for 2 years with a scholarship of 28100 SEK/month. The location for the position is the campus in Luleå. For further information, please contact: Prof. Henrik Wiinikka +46702292384, henrik.wiinikka@ltu.se

Application
We prefer that you apply for this scholarship by using the “apply” button below. The application should include a CV, personal letter, and copies of verified diplomas from high school and universities. Your application, including diplomas, must be written in English or Swedish. Mark your application with the reference number given below.

Final day to apply: 31 May 2024
Reference number: 1734-2024