Alexander Bagger

Project title

Non-Aqueous Electrosynthesis of Fuels and Chemicals

What is your project about?

My project is using Power-to-X electrolysis cell technology to drive reactions other than hydrogen (H2) in the future. This can include direct reduction of CO2 or N2 to exotic fuels and chemicals, however, the product selectivity today is unfortunately challenged for these reactions. This study will investigate the possibilities of using the electrolyte as a fundamental optimization parameter in electrolysis cells. The goal is to use computer simulations in collaboration with experimentalists to study non-aqueous electrolytes, thereby minimizing the production of unwanted hydrogen for these reactions, and achieving a control of product selectivity. This project stands to provide a new, direct and controlled reduction pathway for valuable fuels and chemicals powered by green energy.

How did you become interested in your particular field of research?

My interest in theoretical catalysis arose when I was presented with a series of experimental catalysis activity measurements, which could be directly analyzed with atomic simulation of reaction intermediates (also called Sabatier principle). Previously, I had dealt with experimental graphene synthesis and experimental X-ray analyzes of catalysts, so it was not really obvious that I should do simulations. Today, however, my experimental knowledge is a clear advantage for me, and I use that knowledge every day in my close collaboration with experimentalists.

What are the scientific challenges and perspectives in your project?

The challenge for aqueous electrocatalysis setups is selectivity. If we e.g. would like to reduce CO2 to valuable products, we do not want to reduce water to H2. If we switch to non-aqueous solutions, the challenge with the production of H2 is greatly limited. But a new challenge arises, as CO2 can currently only be reduced to less valuable products. The perspective here is to find the optimal non-aqueous electrolyte and proton donor composition, which can enable a controlled reduction of reactants while limiting the production of H2.

What is your estimate of the impact, which your project may have to society in the long term?

In the future, we must rethink the chemical industry, which is based on fossil fuels. My perspective is that we must be able to make chemicals and fuels with other methods. My research therefore seeks to use electrochemistry to drive chemical reactions, i.e. use electricity as a driving force from reactants to products. Within this area, I am specifically interested in how to control the product selectivity of these reactions at the atomic level. My long-term vision is that we can have smaller electrolysis plants around the world that can take any reactant and produce the exact chemical or fuel that is needed at that location.

Which impact do you expect the Sapere Aude programme will have on your career as a researcher?

It is fantastic! This Sapere Aude: DFF-Starting Grant allows me to employ and train 2 PhD students as well as a postdoc to investigate scientific questions I have been thinking about since completing my PhD. The ideas and scientific questions behind the grant are long-term and with very ambitious research goals. For me, it is fabulous that I can work independently to start my own group with a direction of my own research. In the end, it really means a lot that DFF has chosen me as a young research leader and I am looking forward to getting started with the project!

Background and personal life

I never really thought I would be a researcher. It requires a lot of time, travelling and has a difficult career path where it is required to go abroad for several years (with large consequences for the family - in my case for wife and children - and the career of my partner), and in the end it might not be the most well-paid job. But that is the shelf I have landed on, and every day I look forward to getting up, going to work and working with a bunch of talented students and colleagues at DTU. Being able to work and contribute to the solution of problems that have great perspectives is motivating for me – so much so that I almost always think about my research, also when I cycle or run in my spare time.