Design and Synthesis of Next-Generation High-Performance Energetic Materials

Details

Energetic materials are a class of materials with high amounts of stored chemical energy that can be rapidly released as thermal, light, sound and mechanical energy through exothermic reactions. These materials are integral to a wide range of applications and find use as propellants, explosives and pyrotechnics. Despite their widespread use, some legacy compounds suffer from significant drawbacks, necessitating their replacement by the next generation of energetic materials.^[1] However, before they can be adopted as viable alternatives, these novel materials must be shown to overcome the following key challenges:

1. Performance - While current energetic materials offer impressive performance, there is always a drive to improve upon this. Given the extensive research already conducted, achieving significant improvements following traditional methodologies is challenging. To synthesise the next generation of energetic materials, innovative approaches that explore new and emerging areas of research will be necessary.^[2]
2. Sensitivity, Stability and Safety - Energetic materials are often sensitive to initiation via external triggers like friction or shock, which makes handling and transportation hazardous. The development of safer materials is critical, with efforts focused on enhancing safety without compromising on performance. Alongside this, there is a growing emphasis on developing energetic materials of high thermal stability (T_dec>300 °C).^[3] Balancing stability with performance remains a key challenge of active research.
3. Environmental impact - Many traditional energetic materials contain toxic substances, such as lead and perchlorates, which pose significant environmental and health risks. As a result, there is a growing push to replace these with less polluting and lower toxicity alternatives.

The Energetic Materials Research Group in the School of Chemical, Materials and Biological Engineering is dedicated to addressing these challenges.^[4]

The Research Project

This PhD project aims to address the challenge of synthesising novel, high-performance energetic materials with high thermal stability (T_dec>300 °C). The goal is to develop compounds with exceptional thermal stability, without compromising the performance characteristics associated with conventional energetic materials. Particular emphasis is placed on polynitro-functionalised N-heterocycles and fused-ring containing compounds while also investigating new or underexplored explosophores to open new avenues of investigation within the field of energetic materials.

Furthermore, the work aims to broaden the synthetic toolbox available for energetic materials research by integrating methodologies commonly employed in organic and inorganic chemistry, crystallography, and related disciplines. This interdisciplinary approach is intended to enable access to previously unattainable compounds and to improve existing synthetic routes by enhancing efficiency and reducing environmental impact. In addition to synthesis, the project aims to deepen our understanding of the factors that influence material properties (thermal stability, impact sensitivity etc.), with the intention of leveraging this knowledge to inform future design and synthesis efforts.

Comprehensive characterisation of novel materials will be conducted using state-of-the-art techniques including IR, NMR, crystallography (both powder and single-crystal X-ray diffraction), and mass spectrometry. Thermal behaviour will be assessed using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), complemented by mass spectrometric analysis of decomposition products. Sensitivity testing will include drop-weight and electrostatic discharge testing.

Requirements and your responsibilities as a researcher

Candidates should hold, or be expected to achieve, a strong degree in Chemistry, with a minimum of a 2:1 at Masters level (MSc, MChem). Only UK applicants can be considered for this project. This project is ideally suited towards a highly motivated and creative chemist with a keen interest in all aspects of synthetic chemistry. While experience with the specific chemistry and characterisation techniques outlined is beneficial, it is not essential. Instead, a desire to develop skill as a synthetic chemist alongside the drive to contribute to a cutting-edge area of research are the most important attributes of any successful candidate.

Key researcher responsibilities:

1. Designing novel compounds and developing synthetic routes aided by extensive literature review
2. Synthesising target compounds using a variety of methods spanning organic and inorganic chemistry
3. Analysing experimental and literature data to guide research design, focusing on isolating key factors that control material properties
4. Developing and integrating new or established synthetic techniques into the synthesis of energetic materials
5. Fostering collaboration with researchers in the field and contributing to both national and international conferences relevant to the field (Funding available to support conference participation)

About the Research Group, School and University:

Dr Bradley Westwater leads the newly established Energetic Materials Research Group in the School of Chemical, Material and Biological Engineering, operating out of the state-of-the-art Chemistry facilities in the School of Mathematical and Physical Sciences. The School of Chemical, Materials and Biological Engineering at the University of Sheffield is internationally recognised for excellence in research and innovation across its disciplines. Successful applicants will benefit from world-class facilities, strong industrial partnerships, and a collaborative research culture that supports both fundamental and applied research. The School offers outstanding training, professional development, and opportunities for impactful, cross-disciplinary doctoral research in a supportive academic environment. The University of Sheffield is one of the leading Russell Group universities in the UK and is ranked among the world’s top 100 universities. Interested candidates are encouraged to contact Dr Westwater (b.j.westwater@sheffield.ac.uk) to discuss your interest in and suitability for the project prior to submitting your application.

How to apply:

Please see this link for information on how to apply: https://www.sheffield.ac.uk/cbe/postgraduate/phd/how-apply.

Please include the name of your proposed supervisor and the title of the PhD project within your application.