PhD in Mechanical Engineering - Thermal-Stable High-Energy Silicon Anodes for Operational Resilience in Extreme Environments

Start date: September 2025

Background:  

Silicon (Si) has emerged as a transformative anode material for lithium-ion batteries (LIBs), offering a theoretical capacity of ~4,200 mAh/g, nearly tenfold higher than conventional graphite. This exceptional capacity positions silicon as a cornerstone for advancing energy storage technologies, particularly for electric vehicles (EVs) and grid-scale renewable energy systems. However, critical challenges impede its commercialization: extreme volume expansion (>300%) during lithiation/delithiation cycles induces mechanical fracture, rapid capacity fade, and unstable solid-electrolyte interphase (SEI) formation. These issues, compounded by low intrinsic conductivity and poor coulombic efficiency, demand innovative solutions to unlock silicon’s full potential. Recent progress in material engineering, such as silicon-carbon (Si-C) composites, nanostructured silicon (e.g., nanowires, porous frameworks), and atomic/molecular-scale coatings has demonstrated partial success in mitigating volume changes and enhancing cyclability. For instance, silicon-graphene hybrids and yolk-shell architectures improve stress dissipation, while conformal coatings (e.g., alumina, polymers) stabilize SEI layers. Despite these advances, gaps remain in achieving scalable synthesis, high areal loading (>3 mAh/cm2), and long-term stability (>1,000 cycles with >80% capacity retention). Furthermore, the interplay between material degradation mechanisms (e.g., particle pulverization, electrolyte decomposition) and electrochemical performance remains poorly understood, necessitating a multidisciplinary approach combining advanced characterization, computational modeling, and novel fabrication strategies. This PhD project addresses these challenges by developing next-generation silicon-based anodes through tailored material design, interfacial engineering, and electrode optimization. The research aligns with global decarbonization goals by enabling high-energy-density, durable LIBs for sustainable transportation and energy storage. 

Research Objectives 

The project aims to develop innovative silicon-based anode materials and electrode architectures that overcome existing limitations in cyclability, energy density, and scalability. Key objectives include: 

1. Engineer nanostructured silicon composites (e.g., porous Si-C hybrids, core-shell nanoparticles, graphene-encapsulated Si) to mitigate volume expansion and enhance ionic/electronic conductivity. 
2. Investigate structural and interfacial degradation processes using in situ TEM, X-ray diffraction, and spectroscopy to correlate material properties with electrochemical performance. 
3. Employ density functional theory (DFT) and molecular dynamics (MD) simulations to predict optimal composite geometries and surface functionalization strategies. 
4. Collaborate with industry partners to fabricate full-cell LIB prototypes, validating performance metrics under realistic conditions (e.g., high current density, wide temperature ranges). 

Methodology 

The project adopts a holistic, iterative approach combining synthesis, characterization, modeling, and device integration: 

• Scalable fabrication of Si-based materials via bottom-up (e.g., sol-gel, templating) and top-down (e.g., etching, mechanochemical processing) routes. 
• Advanced diagnostics including in situ XRD/SEM for real-time structural analysis, XPS for surface chemistry, and electrochemical impedance spectroscopy for interfacial studies. 
• Multiscale simulations to explore stress distribution, lithiation kinetics, and SEI formation mechanisms. Machine learning will accelerate material discovery. 
• electrode formulations (binders, conductive additives) and architectures (3D current collectors) for high mass loading and mechanical resilience. 

Candidate Profile 

We seek a highly motivated candidate with: 

• Essential Qualifications: 
• A Master’s degree (or equivalent) in Materials Science, Chemistry, Physics, Electrochemistry, or a related discipline. 
• Proven research experience, evidenced by at least one first author publication in a Q1 journal. 
• Proficiency in analyzing complex datasets and communicating findings through high-impact publications. 
• Fluency in written and spoken English (IELTS ≥ 6.5 or equivalent if applicable). 

• Desirable Skills: 
• Hands-on experience in materials synthesis (e.g., ceramics, thin films) and electrochemical characterization (CV, EIS). 
• Familiarity with spectroscopic techniques (Raman, FTIR, XPS) or microstructural analysis (SEM, TEM). 
• Creativity, teamwork, and a commitment to advancing sustainable energy technologies. 

• Project Details 
• Duration: 3.5 years (full-time). 
• Supervision: The candidate will join a multidisciplinary team under the guidance of experts in materials science and energy storage. 
• Facilities: Access to cutting-edge laboratories for materials synthesis, advanced microscopy, and battery testing. 

Impact and Vision 

This PhD project aims to pioneer transformative advancements in silicon-based anode materials to enable high-energy, durable lithium-ion batteries (LIBs) for a sustainable future. By addressing silicon’s critical limitations, volumetric instability and rapid capacity fade, the research will unlock its full potential as a graphite alternative, directly supporting the global transition to electric vehicles (EVs) and grid-scale renewable energy storage. Successful outcomes will accelerate the commercialization of silicon-dominant anodes, reducing reliance on fossil fuels and mitigating climate change. 

How to Apply 

Interested candidates should submit their CV, a motivation letter outlining their research interests and experience, Transcripts of Records, List of Publications (If any) and contact information for at least two academic references to Professor Mohammad Khalid at [Email Address Removed] 

Please note that this application is to gain admission to our PGR programme, and an offer of admission may be issued before a decision on this Scholarship is made. Candidates applying for this Scholarship will most likely have an interview/discussion with the supervisor before any decision is made. 

Please also submit a Scholarship Application via the online portal: gla.ac.uk/ScholarshipApp/   As part of this process, the supervisor will receive an automated email asking them to provide a supporting statement for their applicant via the portal.  Once the supervisor completes this step, the applicant will be notified and can then SUBMIT their scholarship application.   Any queries can be directed to [Email Address Removed]