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Physical Chemistry

The Physical Chemistry Section carries out diverse, interdisciplinary research combining advanced experimental and theoretical methods to study molecular systems, functional materials, and interfacial phenomena. Areas of focus include spectroscopy, microscopy, quantum and computational chemistry, and solid-state analysis. The Section develops and applies novel tools to investigate charge transport, photophysics, reaction dynamics, and self-assembly across systems ranging from cold ion traps to planetary atmospheres. Research targets applications in energy, sustainability, biomedicine, and environmental science, with strong links to national and international facilities.

Areas of expertise and interests

  • Surface and Interface Chemistry
  • Advanced Spectroscopy and Microscopy (STM, AFM, NMR, Laser Spectroscopy)
  • Computational and Theoretical Chemistry
  • Reaction Dynamics and Kinetics (including ultracold and atmospheric processes)
  • Electrochemistry and Charge Transport
  • Photophysics and Light–Matter Interactions
  • Materials Chemistry (Polymers, MOFs, Perovskites, Hybrid Materials)
  • Soft Matter and Self-Assembly
  • Sustainable and Green Chemistry
  • Biophysical and Single-Molecule Methods

Research section lead

Dr Melanie Britton

Dr Melanie Britton

Research Summary: Using a variety of NMR experiments, including multinuclear spectroscopy, NMR relaxation measurements, imaging (MRI), pulsed field gradient (PFG) diffusion measurements and velocity imaging, her group are providing unique insights concerning the molecular processes underpinning systems found in a range of applications including structured materials, manufacturing, energy storage and biomedicine. Her group has particular interests in the visualisation of electrochemical processes in batteries, corrosion and electroplating; the visualisation of chemistry in flow and heterogeneous media; probing colloidal stability; the development of MRI contract agents and the characterisation of porous media, ionic liquids and surfactant-based structures.

Representative publications:

  • Wang, C. Breakwell, F. Foglia, R. Tan, L. Lovell, X. Wei, T. Wong, N. Meng, H. Li, A. Seel, M. Sarter, K. Smith, A. Alvarez‐Fernandez, M. Furedi, S. Guldin, M. M. Britton, N. B. McKeown, K. E. Jelfs, Q. Song, Selective ion transport through hydrated micropores in polymer membranes. Nature 635 (2024) 353-358
  • Shah, M. J. Taylor, G. Molinaro, S. Anbu, M. Verdu, L. Jennings, I. Mikulska, et al. Design of the Elusive Proteinaceous Oxygen Donor Copper Site Suggests a Promising Future for Copper for MRI Contrast Agents. Proc. Natl. Acad. Sci. USA 120 (2023) e2219036120
  • M. Bray, C. L. Doswell, G. E. Pavlovskaya, L. Chen, B. Kishore, H. Au, H. Alptekin, E. Kendrick, M. M. Titirici, T. Meersmann, M. M. Britton*. Operando visualisation of battery chemistry in a sodium-ion battery by Na-23 magnetic resonance imaging. Nat. Commun. 11 (2020) 2083

Research section members

Professor Tim Albrecht

Professor Tim Albrecht

Research Summary: Our research interests in the group revolve around charged interfaces and charge transport at the nanoscale and in electrochemical environments. We employ various in situ Scanning Probe Microscopy techniques (e.g., EC-STM and EC-AFM), electrochemical methods including impedance spectroscopy, and custom-built, high-performance amplifiers for nanopore sensing. We actively collaborate with other chemists, physicists, materials scientists, electronics engineers and machine-learning experts.

Representative publications:

Dr Joseph Beames

Dr Joseph Beames

Research Summary: The research in the Beames research group seeks to probe important atmospheric, physical and analytical chemistry problems using combined UV-Vis and infrared spectroscopic techniques, transient EPR spectroscopy and high level ab intio quantum chemistry. The ethos of the research group is that concomitant experimental and computational chemistry approaches yield the greatest photophysical insights into molecular systems, and maximizes research impact. The key goals are to sensitively and quantitatively detect trace chemicals and reactive intermediates, in both gas and solution phases. The Beames group aims to develop spectrometers and spectrometric techniques for use in these areas; providing highly sensitive real time detection of many different chemicals.

Dr Dwaipayan Chakrabarti

Dr Dwaipayan Chakrabarti

Research Summary: We research at the interface of soft matter and advanced materials, with our expertise in computation and theory. We are currently focused on optimally designing soft advanced materials and devising strategies for their sustainable fabrication that exploits self-assembly routes for a range of building blocks, from molecular to microscale. We are particularly interested in designing novel photonic, phononic, mechanical and opto-electronic materials for sensing, lasing and energy harvesting. We are also interested in developing fundamental understanding of physical phenomena in soft matter, for example, pathways for phase transitions, and, in particular, crystallisation. In the pursuit of developing soft advanced materials by design, we develop, adapt and apply a variety of computational methods to investigate the structures, phase behaviour and functional properties of soft matter, especially colloids, liquid crystals, and polymers.

Representative publications:

  • W. Flavell, A. Neophytou, A. Demetriadou, T. Albrecht and D. Chakrabarti. Programmed Self-Assembly of Single Colloidal Gyroids for Chiral Photonic Crystals. Adv. Mater., 2023, 35, 2211197
  • A. Neophytou, D. Chakrabarti and F. Sciortino. Topological nature of the liquid–liquid phase transition in tetrahedral liquids. Nat. Phys., 2022, 18, 1248 (2022)
  • A. Neophytou, V. N. Manoharan and D. Chakrabarti. Self-Assembly of Patchy Colloidal Rods into Photonic Crystals Robust to Stacking Faults. ACS Nano, 2021, 15, 2668

Professor Giovanni Costantini

Professor Giovanni Costantini

Research Summary: Our research encompasses the exploration of fundamental interactions and properties exhibited by functional molecular units on solid surfaces as well as the development of novel cutting-edge methods for characterising these systems at the molecular and atomic scale. We use high- and ultrahigh-resolution surface-science analytical techniques, with a particular focus on scanning tunnelling microscopy (STM), to visualise and characterise conjugated polymers, 2D MOFs, corrosion inhibitors, electron donors and acceptors, peptides, H- and X-bond tectons, aromatic hydrocarbons, etc.

Representative publications:

  • Moro, S.E.F. Spencer, D.W. Lester, F. Nübling, M. Sommer, and G. Costantini. Molecular-Scale Imaging Enables Direct Visualization of Molecular Defects and Chain Structure of Conjugated Polymers. ACS Nano 18, 11655 (2024)
  • Lawrence, G.C. Sosso, L. Đorđević, H. Pinfold, D. Bonifazi, and G. Costantini. Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding. Nat. Commun. 11, 2103 (2020)
  • A. Warr, L.M.A. Perdigão, H. Pinfold, J. Blohm, D. Stringer, A. Leventis, H. Bronstein, A. Troisi, G. Costantini. Sequencing conjugated polymers by eye. Sci. Adv. 4, eaas9543 (2018)

Dr Timothy Easun

Dr Timothy Easun

Research Summary: Timothy Easun is a supramolecular coordination chemist, photochemist and spectroscopist with a background in porous metal-organic frameworks, time-resolved spectroscopies, ligand and metal-complex synthesis and photocrystallography.

Tim’s group currently researches both new light-responsive materials and their applications in water purification. This ranges from synthesis of new metal-organic frameworks, through advanced spectroscopic techniques and custom built-analytical equipment, to understanding and testing contaminant removal from water. The group have a strong interest in sustainability in MOFs, from their synthesis through to their uses.

Representative publications:

  • Roszkowska, A. Dickenson, J. E. Higham, T. L. Easun*, J. L. Walsh and A. G. Slater. Enabling batch and microfluidic non-thermal plasma chemistry: reactor design and testing”. Lab Chip, 2023, 23, 2720-2728
  • L. Jones, C. E. Hughes, H. H-.M. Yeung, A. Paul, K. D. M. Harris*, and T. L. Easun*. Exploiting in-situ NMR to monitor the formation of a metal-organic framework. Chem. Sci., 2021,12, 4, 1486-1494

Dr Sarah Horswell

Dr Sarah Horswell

  • Associate Professor 
  • School of Chemistry

Research Summary:

  • Electrochemistry and electrochemical interfaces
  • Surface chemistry and interfacial chemistry
  • Electrocatalysis for energy conversion and environmental remediation
  • Biophysical chemistry and bioelectrochemistry
  • Surface vibrational spectroscopies, X-ray reflectivity, Grazing Incidence X-ray Diffraction, Neutron Reflectivity, AFM

Representative publications:

  • Martin, P. N. Jemmett, T. Howitt, M. H. Wood, A. W. Burley, L. R. Cox, T. R. Dafforn, R. J. L. Welbourn, M. Campana, M. W. A. Skoda, J. J. Thompson, H. Hussain, J. L. Rawle, F. Carlà, C. L. Nicklin, T. Arnold* and S. L. Horswell.*  Effect of anionic lipids on mammalian plasma cell membrane properties. Langmuir, 2023, 39(7), 2676–2691
  • N. Jemmett, D. C. Milan, R. J. Nichols, T. Howitt, A. L. Martin, T. Arnold, J. L. Rawle, C. L. Nicklin, T. R. Dafforn, L. R. Cox and S. L. Horswell.* Influence of the lipid backbone on electrochemical phase behavior. Langmuir, 2022 38(46), 14290–14301

Dr Dominik Kubicki

Dr Dominik Kubicki

Research Summary: Solid-state MAS NMR gives unique element-specific and quantitative insight into local structure, structural dynamics, and chemical transformations in materials. Dominik's group uses various synthetic strategies in conjunction with solid-state NMR, diffraction, and optical spectroscopies to make and understand the new materials our society needs to become more sustainable and end reliance on fossil fuels. Some of our areas of research include:

  • chemical transformations in metal halide perovskites
  • new materials discovery for optoelectronics
  • new solid-state NMR approaches to functional materials
  • mechanosynthesis - nearly 100% atom-efficient synthesis of optoelectronic materials

Representative publications:

  • Kubicki, D. J.; Prochowicz, D.; Hofstetter, A.; Ummadisingu, A.; Emsley, L.. Speciation of Lanthanide Metal Ion Dopants in Microcrystalline All-Inorganic Halide Perovskite CsPbCl3. Am. Chem. Soc. 2024, 146, 9554–9563
  • Doherty, T. A. S.; Nagane, S.; Kubicki, D. J.; Jung, Y.-K.; Johnstone, D. N.; Iqbal, A. N.; Guo, D.; Frohna, K.; Danaie, M.; Tennyson, M.; Macpherson, S.; Abfalterer, A.; Anaya, M.; Chiang, Y.-H.; Crout, P.; Ruggeri, F. S.; Collins, S.; Grey, C. P.; Walsh, A.; Midgley, P. A.; Stranks, S. D. Stabilized tilted-octahedra halide perovskites inhibit local formation of performance-limiting phases. Science, 2021, 374, 1598
  • Wang, Z.; Zeng, L.; Zhu, T.; Chen, H.; Chen, B.; Kubicki, D. J.; Balvanz, A.; Li, C.; Maxwell, A.; Ugur, E.; dos Reis, R.; Cheng, M.; Yang, G.; Subedi, B.; Luo, D.; Hu, J.; Wang, J.; Teale, S.; Mahesh, S.; Wang, S.; Hu, S.; Jung, E.; Wei, M.; Park, S. M.; Grater, L.; Aydin, E.; Song, Z.; Podraza, N. J.; Lu, Z.-H.; Huang, J.; Dravid, V. P.; De Wolf, S.; Yan, Y.; Grätzel, M.; Kanatzidis, M.; Sargent, E.. Suppressed Phase Segregation for Triple-Junction Perovskite Solar Cells.. Nature 2023, 618, 74-79

Dr Julia Lehman

Dr Julia Lehman

Research Summary: Dr Lehman’s research group focuses on understanding chemical reactions occurring in planetary atmospheres (including Earth’s) and in the interstellar medium. Using a combination of laser spectroscopy, mass spectrometry, computational chemistry, and simulation, the Lehman group derives reaction rate coefficients as a function of temperature and pressure, and measures various spectroscopic parameters for further molecular identification. For more information about the group's work, please follow the link to the group website.

Representative publications:

Dr Adam Michalchuk

Dr Adam Michalchuk

Research Summary: We combine atomistic simulation and experiment to study the mechanisms and processes involved in mechanically induced reactions in solids. We have particular interest in the role of phonon dynamics in dictating material mechanical response. Experimentally, our group makes extensive use of large scale international facilities including both synchrotrons and neutron sources.

Representative publications:

Dr Robert Neely

Dr Robert Neely

Research Summary: Nature has evolved exquisite specificity, of which the DNA methyltransferase enzymes are just one fascinating example. In bacteria, these enzymes are part of the bacterium’s defence mechanism against viral invasion. We use these enzymes to deliver functional groups to DNA molecules at specific sequence motifs. This is leading to a range of novel applications including the development of a new DNA mapping technology that can be used as a rapid screen for pathogens.

We frequently observe chemical and biological processes at the ensemble level. What this means is that, in these experiments, we measure an average signal from the entire population of molecules in the system. In biology, this can be misleading since it is often those few molecules in a system that are behaving differently to the others that are really determining the system’s behaviour. For example, a single mutated enzyme may develop off-target specificity that can lead to a cascade of potential problems in a cell. Our group is developing and applying new ways to study biological systems at the single-molecule level, predominantly using fluorescence microscopy.

Professor Tim Softley, FRS

Professor Tim Softley, FRS

Research Summary: My research interests are concerned with exploring the kinetics and dynamics of chemical reactions at cold (<10K) and ultracold (<1 mK) temperatures using novel experiments and theory. At extremely cold temperatures matter starts to enter a ‘fully quantum regime’ where wave-particle duality becomes important and classical laws such as the Arrhenius Equation become less relevant – a new physical regime for chemistry. Although I do not currently have an experimental laboratory in Birmingham, I collaborate closely with other experimentalists in Birmingham, Liverpool, Nijmegen, ETH Zurich and Boulder Colorado. Ionic-neutral reactions have been a particular area of interest, and over the last 15+ years we have developed experiments in which the ‘reaction vessel’ is a laser-cooled radiofrequency ion trap mounted inside a high vacuum chamber. Calcium atoms are ionized with a laser to produce Ca+ cations and the ions are laser cooled to temperatures in the milliKelvin range. Under these circumstances the ions form a ‘Coulomb crystal’ – a 3-dimensional regular array of ions, in which the natural repulsion between the ions is balanced by the trapping radiofrequency field. Although the crystal has a solid-like microscopic structure, observed by imaging the fluorescence from individual ions, the density is extremely low, and thus this is really a crystal in the gas phase. Individual ions are resolved in the images, and the ions can be trapped and observed on a timescale of hours. Reactions of cold neutral molecules with ions are observed by monitoring changes in structure of the Coulomb Crystals revealing details of their behaviour at such low temperatures.

 

Representative publications:

  • S. Petralia, A. Tsikritea, J. Loreau, T.P. Softley, B.R. Heazlewood. Strong inverse kinetic isotope effect observed in ammonia charge exchange reactions. Nat. Commun. 11, 173 (2020)

Professor Vasilios Stavros

Professor Vasilios Stavros

Research Summary: In the Stavros Lab, we use state-of-the-art laser spectroscopy techniques to track energy- energy flow in molecules following absorption of solar radiation. Why is this important? When a molecule absorbs ultraviolet radiation (UVR), several processes can occur. Non-radiative (ie non-light emitting) decay is one of these and is responsible for driving the underlying photoprotection mechanisms within in a myriad of molecular systems including plants and microbial species. Deciphering these non-radiative decay mechanisms unlocks knowledge that can assist in developing new photothermal materials. For example, developing biomimetic UVR filters for skincare application and molecular heaters to boost plant growth during cold snaps.

Representative publications:

  • New theoretical insights on the nonradiative relaxation mechanism of the core structure of mycosporines: the amino-cyclohexenone central template
    Roshan, M. Hymas, V.G. Stavros and R. Omidyan
    J. Chem. Phys., 2024, 161, 094301
  • A multipronged bioengineering, spectroscopic and theoretical approach in unravelling the excited state dynamics of the archetype mycosporine amino acid
    Hymas, S. Wongwas, S. Roshan, A.L. Whittock, C. Corre, R. Omidyan and V.G. Stavros
    J. Phys. Chem. Lett., 2024, 15, 7424
  • Spectroscopic insight on impact of environment on natural photoprotectants
    L. Whittock, X. Ding, X.E. Ramirez Barker, N. Auckloo, R.A. Sellers, J.M. Woolley, K. Tamareselvy, M. Vincendet, C. Corre, E. Pickwell-MacPherson and V.G. Stavros
    Chem. Sci., 2023, 14, 6763

Dr Hamish Yeung

Dr Hamish Yeung

Associate Professor in Materials Chemistry

School of Chemistry

Email: h.yeung@bham.ac.uk

Google Scholar

ORCID

Group website

Research Summary: We study the formation, organisation and response of functional materials, including metal–organic frameworks, hybrid perovskites and molecular crystals. We use a multi-disciplinary approach to gain new insights into the structure of matter and its behaviour in the crystalline state. We have a particular focus on using in situ techniques to investigate the interesting physics and chemistry that occurs under operating conditions, such as during synthesis, or under high pressure or electric fields. The understanding we develop ultimately leads to better design of new materials, which has impact on fundamental science and new technology.

Representative publications:

  • Greenbaum, P. W. Doheny, R. A. I. Paraoan, Y. Kholina, S. Michalik, S. J. Cassidy, H. H.-M. Yeung,* A. L. Goodwin. In Situ Observation of Topotactic Linker Reorganization in the Aperiodic Metal–Organic Framework TRUMOF-1. J.Am. Chem. Soc., 2024, 146, 27262–27266. DOI: 10.1021/jacs.4c09487
  • D. Gale, H. J. Lloyd, L. Male, M. R. Warren, L. K. Saunders, P. A. Anderson, H. H.-M. Yeung*. Materials discovery and design limits in MDABCO perovskites. CrystEngComm 2022, 24, 7272–7276. DOI: 10.1039/D2CE00848C
  • W. P. Orr, S. M. Collins, E. M. Reynolds, F. Nightingale, H. Boström, S. J. Cassidy, D. Dawson, S. E. Ashbrook, O. V. Magdysyuk, P. A. Midgley, A. L. Goodwin, H. H.-M. Yeung*. Single-step synthesis and interface tuning of core–shell metal–organic framework nanoparticles. Chemical Science 2021, 12, 4494–4502. DOI: 10.1039/D0SC03940C