AI-Enhanced 3D Atomic-Scale Imaging of Nano-catalytic Materials for Clean Energy Conversion

The EPSRC and BBSRC Centre for Doctoral Training in Negative Emission Technologies for Net Zero (CDT in Net2Zero) is an equal partnership between Aston University (lead), University of Nottingham, Queen’s University Belfast, and University of Warwick. Through cutting-edge research and interdisciplinary collaboration, this CDT aims to tackle global challenges related to climate change and sustainability. 

Our four-year doctoral programme is training the next generation of research leaders tasked to remove greenhouse gases from the environment.  The CDT in Net2Zero focuses on the use of biomass to replace fossil fuels and removal (or capture) of CO2 from the atmosphere, with the potential to create new sources of fuels and chemicals. The centre’s expertise covers Direct Air Capture and CO2 Storage (DACCS), CO2 utilisation, biochar synthesis and utilisation, biomass transition to materials and chemicals, and biomass to energy with carbon capture and storage (BECCS), etc.

Through our research training programme, you will be able to: 

• Develop a network with doctoral researchers, academia, government and industry.
• Access to cutting-edge facilities and opportunities for international collaboration, preparing you for a successful career in academia, industry, or policymaking.
• Carry out a training programme covering practical engineering, communication, entrepreneurship, and business skills to prepare students for diverse sectors.
• The CDT facilitates direct contact between students, industrial partners, policy makers, and third sector organisations to support future careers. You will have the opportunity of a three-month placement with industry, research collaborators or policymakers.

Overview and Background
 
To achieve a sustainable and resilient carbon-neutral energy system, electrocatalysis is central to clean energy innovation. The development of efficient functional materials, such as electrocatalysts for key reactions—such as the hydrogen evolution reaction (HER), oxygen reduction reaction (ORR), and CO₂ reduction reaction (CO₂RR)—is crucial to enabling large-scale deployment of renewable energy technologies. A fundamental requirement for materials design is understanding the atomic-scale structure and evolution of electrocatalysts under operating conditions. In particular, capturing the surface and subsurface structural dynamics of nanomaterials during potential cycling, and correlating these changes with catalytic activity, is vital for improving both performance and durability. Therefore, precise measurement of these three-dimensional (3D) atomic-scale dynamics is crucial to systematically optimise functional design. However, conventional scanning transmission electron microscopy (STEM) imaging lacks depth sensitivity, and tomography requires high electron doses that risk damaging beam-sensitive materials. 

This project will deliver new methodologies for 3D atomic-scale imaging of functional energy materials at low dose using multi-slice 4D STEM, enabling insights into dynamic processes that are inaccessible with conventional techniques. To address the complexity of reconstructing and interpreting large-scale 4D STEM datasets, the project will integrate artificial intelligence (AI) and machine learning (ML) approaches to enhance 3D reconstruction and feature recognition. Deep learning models will be developed to accelerate and stabilise image retrieval, improving robustness under low-dose and noisy conditions. ML algorithms will be used to detect and classify surface and subsurface structural motifs (vacancies, adatoms, lattice distortions) and correlate them with physical properties. Overall, the project will establish AI-enhanced multi-slice 4D STEM as a transformative platform for studying complex nanomaterials across energy and storage research.

Supervisors: Dr Peng Wang, Prof. Sai Gu

Contact information

For any enquiries about this project, please contact the Net2Zero CDT team.

PhD programmes are for those who are seeking to develop greater in-depth knowledge in a specific area. Completing this level of study is about making an original contribution to knowledge, making new discoveries and developing lifelong skills. 

Person Specification

Essential:  

• A first-class or strong upper second-class degree (or equivalent) in Physics, Materials Science, Chemistry, or a closely related field
• Knowledge of solid-state physics, nanomaterials, or catalytic materials relevant to clean energy and net-zero technologies.
• Hands-on laboratory or computational experience in microscopy, or image/data analysis.
• Strong analytical, computational, and problem-solving skills, with the ability to interpret complex datasets.
• Good written and verbal communication skills, with evidence of clear scientific reporting.
• Demonstrated enthusiasm for advanced microscopy, sustainable energy materials, and emerging imaging technologies.

Desirable:

• Experience with electron microscopy.
• Skills in Python, MATLAB, or machine-learning frameworks for data processing.
• Prior work in catalysis or beam-sensitive functional materials.

Equality, Diversity, and Inclusion is at the heart of the Net2Zero CDT, and we know diversity fosters creativity and innovation. We are committed to equality of opportunity, to being fair and inclusive, and to being a place where all belong.

We therefore particularly encourage applications from candidates who are likely to be underrepresented in a higher education setting.  These include people from Black, Asian, and minority ethnic backgrounds, disabled people, LGBTQI+ people, and women.

Aston University is committed to the principles of the Athena SWAN Charter, recognised recently by a prestigious Gold Award for gender equality. Our commitment to advancing race equality has been recognised with a Race Equality Charter Bronze Award. We pride ourselves on our vibrant, friendly, and supportive working environment and family atmosphere.

• Four-year studentships with a tax-free stipend at UKRI rate (£21,805 per year for 2026/27)
• Paid tuition fees
• A generous research training support grant.

This opportunity is only available to applicants who qualify for home fee status. You can find the rules for home fee eligibility.

Applications for this project from international candidates will not be considered.

Submitting an Expression of Interest

When submitting the Expression of Interest, we will need some information from you, we will be asking about:

1. Your personal details for processing the application.
2. A copy of your passport and, where relevant, include evidence of settled or pre-settled status.
3. Your personal characteristics, for monitoring purposes only.
4. Your Academic background.  We will require English language copies (or screen captures) of the transcripts and certificates for all your higher education degrees, including any Bachelor degrees.
5. If English is not your first language, you will be required to present evidence that you meet the English Language requirements. You can submit the evidence at a later stage.
6. Your research background and experience.
7. Expressions of interest will be assessed against the following criteria:
   1. Candidate’s motivation and experience: The extent to which the candidate’s expertise, experience, and ambitions align with the goals of the Net²Zero CDT programme.
   2. If you are shortlisted, you will have the opportunity to meet the potential supervisors.

If, after formal interviews, you are offered a place in the training programme, you will be required to submit a formal application within the Home Institution (Aston University, University of Nottingham, University of Warwick or The Queen’s University of Belfast)

Apply for this position.

Studying a PhD is great route into academia and industries that are centred on research and innovation. Areas with a demand for very high level and specialised research skills often demand PhDs.

In addition to this specialist knowledge, PhD education will help you to develop a set of valuable transferrable skills. The very nature of studying an intensive research degree will enable you to become a team player, develop problem-solving skills, analytical thinking, and advanced presentation and communication skills.