Revealing Atomic Structure and Heterogeneity Within Metal-organic Frameworks Using 4D-STEM Low-dose Imaging

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 

As a remarkable class of materials recognised by the 2025 Nobel Prize in Chemistry, metal-organic frameworks (MOFs) demonstrate diverse applications, including gas adsorption and separation, heterogeneous catalysis, and energy storage and conversion, that will play a pivotal role in combating climate change. Due to their high surface area, facilely-tailored functionality, and designable pore structure, MOFs have attracted significant attention as host materials to incorporate small molecules or nanoparticles, with a special focus on carbon capture and heterogeneous catalysis. To achieve a controllable synthesis of composites with specific functions, it is crucial to investigate how guest species interact with the 3D host framework at atomic scale in the three dimensions (3D). 

The rapid development of low dose scanning/transmission electron microscopy (S)TEM imaging and diffraction techniques has demonstrated an unprecedented opportunity for the determination of the atomic-scale structure of MOFs. However, previous work using TEM predominantly relied on two-dimensional imaging modes, providing only projected information. Consequently, crucial details such as atomic defects, host–guest interactions, and surface terminations have remained unresolved in 3D. Developing new imaging methodologies with enhanced depth sensitivity is therefore essential to retrieve complete 3D structural information.

In recent years, the 4D-STEM ptychography technique has shown remarkable performance in achieving ultra-high resolution down to sub-ångström levels with high dose efficiency. This opens up the possibility for real atomic resolution imaging of MOFs, a feat that was previously unattainable. Additionally, it enables 3D imaging with depth information through the implementation of the multislice method. However, applying this technique to beam-sensitive materials pose a challenge. While some studies have demonstrated its efficiency in low-dose 3D imaging of zeolites, the situation is more challenging for MOFs due to their heightened sensitivity to electron beams. Therefore, technically there is still much room for improvement in the case of MOFs.

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. 

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 MOF 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 related programming environments for scientific computing.
• Familiarity with beam-sensitive materials, catalysis, or MOF chemistry.

• 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.