Project highlights

  • Sustainable preparation of chemical reagents using non-toxic and earth abundant materials with solvent-free methodologies 
  • Carbon capture technology application 
  • Study of reaction mechanism of CO2 conversion 

Overview

The UK government has set out an ambitious roadmap to implement carbon capture technology, setting up a plan for a competitive ‘Carbon Capture, Usage and Storage’ (CCUS) market by 2035.1 These technologies will aim to reduce highly detrimental levels of CO2 in the atmosphere, in line with the ambition to reach Net Zero by 2050.2 Examples of current approaches towards CCUS include: direct air capture, chemical absorption and gas separation.3 Crucially, CO2 could be converted into more benign forms (e.g. solid forms like carbonates and oxalates salts) or could be used as an important feedstock of ‘clean’ CO (usually obtained from the combustion of methane, i.e. steam reforming) and employed in the Fischer-Tropsch process for the preparation of synthetic fuels.  

CO2 is already intensely researched as a useful precursor for chemical synthesis. Nonetheless, materials involved in these reactions are often toxic metals and solvents, thus posing some serious challenges to the long-term sustainability CCUS technology. To address these issues we must: 1) employ earth-abundant, non-toxic reagents; 2) reduce energy costs; 3) limit the carbon footprint of CCUS strategies.  

We will prepare earth-abundant reagents using solvent-free methodologies, and will study their reactivity towards CO2 activation. These reagents will incorporate alkaline earth metals, which belong to the Group 2 of the Periodic Table. These are cheap (e.g. magnesium £2/kg, calcium £2/kg), earth-abundant and non-toxic metals, thus providing a sustainable alternative to toxic reagents. Additionally, our methodologies will not involve hydrocarbon solvents, as we rely on mechanical forces to promote chemical reactions (i.e. mechanochemistry). This method is based on a recent discovery from our team, where we have reported the mechanochemical synthesis of a novel calcium-containing material capable of promoting important reactions for the chemical industry (e.g. C-H activation, cross-coupling) under mild conditions and with a low carbon footprint. 4 These new reagents will be employed in reactivity studies with CO2, and we will also investigate the combination of CO2 with hydrogen to reproduce strategic reactions for the chemical industry and fine chemical production, e.g. Fischer-Tropsch process. We will also investigate mechanistic aspects of these reactions to improve our molecular design and applications.  

An infographic showing chemical symbols for Mg, Ca and Ba, mechanical reaction with CO2, and chemical structures of formate, oxalate, and carbonate.

Figure 1: Use of ball milling for the synthesis of alkaline earth reagents for carbon capture technology applications.  

Host

University of Leicester

Theme

  • Climate and Environmental Sustainability

Supervisors

Project investigator

Co-investigators

How to apply

Methodology

The workplan for this PhD project will be organised as follows: 

  1. Mechanochemical synthesis of alkaline earth reagents. Alkaline earth reagents will be prepared using solvent-free mechanochemical methods supported by state-of-the-art anaerobic techniques (Schlenk line and glovebox), which are also going to be used for CO2 capture reactions. 
  2. Physical characterisation. New materials will be characterised with Nuclear Magnetic Resonance spectroscopy, single crystal X-ray diffraction, powder X-ray diffraction, Infrared spectroscopy, Mass Spectrometry and electrochemistry. Physical characterisation will inform the methodology development and the further CO2 capture reactions. 
  3. CO2 capture reactions. These reactions will target transformation of CO2 into solid carbonate or oxalate salts, or conversion to formate in the presence of hydrogen. 
  4. Mechanistic investigations. The reaction will be monitored using reaction monitoring techniques such as the ones described in point 2). Mechanistic investigation results will inform the methodology development and CO2 capture reactions in a two-way feedback loop. 

Training and skills

DRs will be awarded CENTA Training Credits (CTCs) for participation in CENTA-provided and ‘free choice’ external training. One CTC can be earned per 3 hours training, and DRs must accrue 100 CTCs across the three and a half years of their PhD.  

The DR will be trained in modern inorganic and solid-state synthesis. Additionally, the DR will be trained to perform and interpret every analytical and spectroscopic technique involved in the project. 

The DR will work within a stimulating multidisciplinary team, and we will encourage them to develop a wide scientific skillset, together with communication and interpersonal skills by participating at research meetings, conferences and outreach activities. This project is closely related to applications in sustainable synthesis and environmental science. Therefore, the DR will develop a holistic scientific training encompassing multiple topics of vital importance for the scientific community and modern society.  

Further details

Potential applicants are welcome to discuss the project informally with the project supervisors: Fabrizio Ortu ([email protected], +44 116 294 4670, http://orturesearch.com). Patricia Rodriguez Macia (email: [email protected]; https://www.rodriguezmacialab.com/).

To apply to this project:  

  • You must include a CV with the names of at least two referees (preferably three) who can comment on your academic abilities.  
  • Please submit your application and complete the host institution application process via: CENTA PhD Studentships | Postgraduate research | University of Leicester.  Please scroll to the bottom of the page and click on the “Apply Now” button.  The “How to apply” tab at the bottom of the page gives instructions on how to submit your completed CENTA Studentship Application Form 2025, your CV and your other supporting documents to your University of Leicester application. Please quote CENTA 2025-L13 when completing the application form.  

Applications must be submitted by 23:59 GMT on Wednesday 8th January 2025.  

Possible timeline

Year 1

Preparation of first generation of alkaline earth reagents and characterisation. 

Year 2

Screening of reagents with CO2 and mechanistic studies; first publication of results with student as first named author; preparation of second generation of alkaline earth reagents.

Year 3

Combined CO2/H2 reactivity (Fischer-Tropsch) and mechanistic studies; screening of second generation reagents; second publication of results. 

The last 6 months of funding will focus on PhD thesis writing and completing research manuscripts from work carried out in Year 3. 

This project will generate new insights into technological advances for reducing atmospheric CO2 levels and improving the sustainability of chemical manufacturing. These are key issues that must be at the heart of future strategies to tackle anthropomorphic climate change. 

Further reading

  1. HM Government, “Carbon capture and storage”, https://www.gov.uk/environment/oil-and-gas-carbon-capture-and-storage. 
  2. HM Government, “Net Zero Strategy: Build Back Greener”, Policy paper, 2021. 
  3. Wu, C. et al. (2024) ‘A comprehensive review of carbon capture science and technologies’, Carbon Capture Science & Technology, 11, 100178. 
  4. Ortu, F. et al. (2024) ‘Mechanochemical synthesis, characterization and reactivity of a room temperature stable calcium electride’, Journal of the American Chemical Society, manuscript accepted. Preprint: https://www.researchsquare.com/article/rs-4655560/v1.