Background
This project aims to investigate hybrid metal halide semiconductors and design novel materials tailored for optoelectronic and electrochemical applications. A key focus will be to explore and understand the optoelectronic properties, defect chemistry, and atomic transport mechanisms of newly developed metal halide semiconducting compounds using first-principles simulations based on density functional theory (DFT) and beyond. By employing state-of-the-art computational techniques, the project will provide valuable insights into the stability, electronic structure, and ion transport of these functional materials, paving the way for their potential integration into relevant applications.
Project description
A fully-funded PhD studentship for UK students is available in the newly established group of Dr Nourdine Zibouche in the Department of Chemistry at Lancaster University. This studentship will cover University fees at the UK rate and a maintenance stipend for 3.5 years and research training support.
The candidate will receive extensive training in computational materials modelling, including electronic structure calculations, ab initio molecular dynamics, and defect properties, equipping them with a strong theoretical and practical foundation in computational chemistry and materials modelling. They will also gain hands-on experience with high-performance computing (HPC) resources and advanced simulation methodologies. Additionally, the candidate will have the opportunity to engage in collaborative research with leading experimental groups in the UK and internationally.
Requirements
The successful applicant should hold, or expect to receive, a first-class or 2:1 UK Master’s or BSc degree (or equivalent) in solid-state physics, chemistry, or materials science, with a strong interest in computational materials modelling. Candidates with a 2:2 may be considered if they can demonstrate excellent research skills in their application and references. Excellent written and oral communication skills are essential. Previous experience with first-principles simulation codes such as Quantum-Espresso, VASP, Crystal, and CP2K, as well as good programming skills, is desirable.
How to apply
(Please read carefully)
Dr N. Zibouche welcomes informal email enquiries before submitting an application n.zibouche@lancaster.ac.uk. Please note that we cannot receive applications by email as they must be processed centrally.
Applications should be made via Lancaster University’s online application system.
Please indicate on your application that you are applying for this funded PhD project by declaring the title of the advertisement where prompted.You may use the project description as your research proposal to apply for this studentship.
Deadline
The deadline for applications is 31st July 2025.
Shortlisted candidates will be interviewed thereafter. Applications will be reviewed on a rolling basis, and the position may be filled before the deadline if a suitable candidate is identified.
Background
The energy crisis and climate emergency demand novel ways to store energy from renewable sources and achieve net zero carbon emissions. We need better battery materials for the next generation of mobile transport and energy storage applications, and to understand in depth how these materials behave. This challenge motivates much of Dr Michael Mercer’s group’s research, which combines atomic scale methods with advanced electrochemical techniques on small, coin cell batteries as well as larger commercial batteries to understand their properties.
The group is also interested in studies of battery degradation and in transferring these methods to emerging next generation battery technologies such as sodium-ion batteries (SIBs), which would allow the use of substantially cheaper and more abundant materials than present day lithium-ion batteries (LIBs). As part of a recent collaboration with Gavion Ltd., a new polymer-based material, known as Organically Synthesized Porous Carbon (OSPC) has been developed. This work will be done in collaboration with Professor Abbie Trewin’s group. OSPC shows exceptionally high capacity, fast charging and resistance to degradation in LIBs. We want to understand the characteristics of OSPC better to be able to understand its operation under real conditions in SIBs and support wider commercialisation.
Project description
A 3.5 year EPSRC DLA PhD position (including £20,780 stipend per year) is available in Lancaster University in collaboration with Gavion Ltd. The funding includes a Research Training Support Grant for research-related expenses.
Both LIBs and SIBs operate through insertion of ions into the electrode materials. Those ions can order in different ways in the electrode materials during battery operation. At Lancaster, we have developed techniques to be able to track ion ordering, through a state-of-the-art capability known as entropy profiling (EP). It is important to understand the nature of these orderings to optimise battery performance, develop better battery materials and diagnose battery degradation. EP shows pronounced sensitivity to changes in lithium or sodium ordering as well as battery material degradation effects. It can, therefore, be complemented with normal charge/discharge battery cycling, to get detailed insights in how the materials behave. This helps to make better batteries with improved capacity, longer lifespan or faster charging/discharging capability.
Like LIBs, SIBs need an anode, cathode and electrolyte to operate. We have demonstrated EP applied to hard carbons, currently considered the best anode material for SIBs. See M.P. Mercer et al., “Sodiation energetics in pore size controlled hard carbons determined via entropy profiling”, for further details. The capacity of SIBs to store charge is currently limited by the hard carbon in the anode, severely impacting commercial potential. In the proposed project, we want to better understand a recently developed material known as Organically Synthesized Porous Carbon (OSPC), which has demonstrated high capacity, fast charging and resistance to degradation in LIBs. See A. Rowling et al., “Facile Synthesis of Organically Synthesized Porous Carbon Using a Commercially Available Route with Exceptional Electrochemical Performance”. We want to put OSPC into SIBs and characterise them with various electrochemical techniques: charge/discharge cycling, impedance spectroscopy and EP, under a range of relevant operating temperatures and conditions. The project will involve making coin cells with the OPSC materials, then doing EP and other electrochemical techniques. Some experience with scripting, such as with Python, would be highly desirable for analysing the data, although this skill can be developed during the project. We also want to demonstrate the electrochemical performance of OSPC in prototype SIB pouch cells to demonstrate the commercial potential of OSPC in SIBs.
The student will learn the basics of battery science, including standard electrochemical characterisation techniques. It will provide an opportunity to develop data analysis skills, particularly in Python, which is a highly transferrable skill within and outside of science. The student will receive further training on time management, writing and presentation skills and will contribute to research manuscripts. The project will prepare the candidate for postdoctoral study in this field, a career in the battery industry, or any career requiring good experimental, troubleshooting, or data analysis skills.
Requirements
Applicants will hold, or expect to receive, a 1st class or 2:1 UK Master's or BSc degree (or equivalent) in Chemistry, Physics, Materials Science, Natural Science or aligned Engineering fields and possess theoretical and practical skills commensurate with a science or engineering-based undergraduate degree programme. Candidates with a 2:2 may be considered if they can demonstrate excellent research skills in their application and references.
The successful candidate will demonstrate a strong interest in experimental physical chemistry and battery science, interest in and willingness to develop programming and scripting skills for data analysis, enthusiasm to work in a laboratory environment, willingness to learn, a collaborative attitude, and will possess good written and oral communication skills.
How to apply (Please read carefully)
Dr Michael Mercer welcomes informal email enquiries before submitting an application m.mercer1@lancaster.ac.uk. Please note that we cannot receive applications by email as they must be processed centrally.
Applications should be made via Lancaster University’s online application system.
Please indicate on your application that you are applying for this funded PhD project by declaring the title of the advertisement where prompted. You may use the project description as a basis for your research proposal to apply for this studentship.
Funding Details
The studentship will cover fees at the UK rate. It may also partially contribute to the fees and stipend of a self-funded international candidate, though it is advised that you enquire regarding this before applying.
Deadline: Your application must be uploaded onto the online application system by 31st July 2025
Applications will be considered in the order that they are received, and the position may be filled when a suitable candidate has been identified ahead of the deadline.
About this Project
Supervisors: Dr Muñoz (Chemistry), Drs Fielding, Parkin and Dawson (Biomedical and Life Sciences)
This collaborative project aims to develop novel PDE4B PROTACs as potential Alzheimer’s Disease (AD) therapeutics.
AD represents a large and growing global health burden.
Despite good understanding of the key pathologies, no treatments for Alzheimer’s Disease (AD) have been approved for use in the NHS.
Recent research has shown that reduced PDE4B activity protects cognition and brain function in a mouse model of AD (Armstrong et al., 2024). Thus, we aim to develop novel PDE4B targeting therapeutics.
This cross-disciplinary project aims to design and synthesise novel chemical structures that will act as drugs to degrade PDE4B. We will do this by covalently linking known and novel PDE4B inhibitors to small molecules known to induce the degradation of a target protein of choice (in this case PDE4B), called Proteolysis Targeting Chimeras (PROTACs).
This approach has several key advantages over traditional small molecule inhibitors, including enhanced efficacy and specificity, and several are already in clinical trials, mostly as oncology treatments, but application of this approach to AD is currently underexplored.
General eligibility criteria: Applicants would normally be expected to hold a minimum of a UK Honours degree at 2:1 level or equivalent, preferably in chemistry or biochemistry, or a related relevant degree course.
Project specific criteria: The ideal candidate will have an interest in synthetic chemistry, drug discovery, cell biology and Alzheimer’s Disease
Funding
A tax-free stipend will be paid at the standard UKRI rate; £19,237 in 2024/25. This is a fully funded studentship of 3.5 years for UK/Home students.
How to Apply
Interested applicants are welcome to get in touch to learn more about the PhD project. Please contact Dr M. Paz Muñoz for more information.
- Please complete the Natural Sciences Funded PhD Application Form
- Please submit your CV and two references to naturalsci@lancaster.ac.uk as Word or PDF files.
- You will receive a generic acknowledgement in receipt of successfully sending the application documents.
- Please note that only applications submitted as per these instructions will be considered.
- Please note that, if English is not your first language, you will be required to provide evidence of your proficiency in English. This evidence is only required if you are offered a funded PhD and is not required as part of this application process.
- Please note that, if you do not hear from us within four weeks of the closing date then you have been unsuccessful on this occasion. If you would like feedback on your application, please contact the supervisors of the project.
Dates
- Deadline for candidate applications: 28th April 2025
- Provisional Interview Date: May 2025
- Start Date: October 2025
Further Reading
- Armstrong P, Güngör H, Anongjanya P, Tweedy C, Parkin E, Johnston J, Carr IM, Dawson N, Clapcote SJ. Protective effect of PDE4B subtype-specific inhibition in an App knock-in mouse model for Alzheimer's disease. Neuropsychopharmacology. 2024 Sep;49(10):1559-1568. doi: 10.1038/s41386-024-01852-z.
- Ramachandran S, Ciulli A. Building ubiquitination machineries: E3 ligase multi-subunit assembly and substrate targeting by PROTACs and molecular glues.
- Current Opinion in Structural Biology, Volume 67, 2021, Pages 110-119,
- https://doi.org/10.1016/j.sbi.2020.10.009.
About the Project
Supervisors: Dr Luigi Capozzi (Engineering) and Dr John Hardy (Chemistry)
Microfibers from textiles are a major source of microplastic pollution, posing environmental and health risks. Current wastewater treatment methods struggle to effectively capture these particles, often relying on energy-intensive filtration systems. This PhD project will explore a novel approach to microfiber removal. Using CFD-DEM simulations, AI and experimental validation, the project will design and optimise systems that improve microfiber capture efficiency while reducing energy consumption. The research will integrate advanced simulation techniques with material design, offering a scalable and sustainable solution for wastewater treatment.
General eligibility criteria: Applicants would normally be expected to hold a minimum of a UK Honours degree at 2:1 level or equivalent in a relevant degree course.
Project specific criteria: The ideal candidate will have an interest in fluid mechanics, computational modelling, and sustainable engineering solutions. Experience with numerical simulations or materials processing is beneficial but not required.
Funding
A tax-free stipend will be paid at the standard UKRI rate; £19,237 in 2024/25. This is a fully funded studentship of 3.5 years for UK/Home students.
How to Apply
Interested applicants are welcome to get in touch to learn more about the PhD project. Please contact Dr Luigi Capozzi for more information.
- Please complete the Natural Sciences Funded PhD Application Form
- Please submit your CV and two references to naturalsci@lancaster.ac.uk as Word or PDF files.
- You will receive a generic acknowledgement in receipt of successfully sending the application documents.
- Please note that only applications submitted as per these instructions will be considered.
- Please note that, if English is not your first language, you will be required to provide evidence of your proficiency in English. This evidence is only required if you are offered a funded PhD and is not required as part of this application process.
- Please note that, if you do not hear from us within four weeks of the closing date then you have been unsuccessful on this occasion. If you would like feedback on your application, please contact the supervisors of the project.
Dates
- Deadline for candidate applications: 28th April 2025
- Provisional Interview Date: May 2025
- Start Date: October 2025
