PhD Studentships - DTP / ICS / JWS & ICASE (Industrial CASE Studentships)

Applications for PhD studentships for September/October 2021 starts are now open. For more information on the projects listed below, please contact the named supervisor or click on the link to be taken to a detailed description.

Requirements

All applicants must have or expect to have a 1st or 2:1 class MChem, or equivalent degree by autumn 2021.  Selection will be based on academic excellence and research potential, and all short-listed applicants will be interviewed (in person or via Microsoft Teams).

Level of Award

For James Watt Scholarship students, the annual stipend will be £15k and full fees will be paid, for 3 years.  For DTP Scholarship students, the annual stipend will be ca. £15,000 and full fees will be paid, for 3.5 years.  For ICS Scholarship students the annual stipend will be ca. £14,500 and full fees will be paid, for 3 years.

DTP

EPS2021/85: New materials for electrochemical energy storage and conversion devices

The project will focus on the synthesis and characterisation of new solid-state materials for use in electrochemical applications. In particular for use in electrolysers, with dual focus on improving ionic conduction and oxygen evolution reaction. This builds on interesting results we have obtained on using layered cobalt oxides which are good oxygen evolution reaction catalyst as well as being good ionic conductors for use in membranes in electrochemical devices.

Supervisor: Dr J-W Bos

URL: https://www.findaphd.com/phds/project/metastable-inorganic-materials-for-energy-applications/?p116552

DTP2021/01: Plasma Recycling of Polymers as Value Added Organics

Chlorinated polymers are currently considered intractable in terms of recycling and consigned to landfill. We have been exploring the plasma-enhanced degradation of polymers and have observed that PVC is considerably more susceptible to plasma erosion than its non-halogenated counterparts. This project will focus on aspects of the surface science of this process by (i) investigating small molecule models of the degradation process and (ii) looking to the nature of the organic products of the degradation with H2/CO2 plasma.

Supervisor: Prof M.R.S. McCoustra (with Prof D. Bucknall and H. Yiu)

URL: https://www.findaphd.com/phds/project/plasma-recycling-of-polymers-as-value-added-organics/?p128644

DTP2021/02: Stereodynamics of Gas-Phase Electronic Quenching: Experiment and Theory

The quenching of electronically excited radicals in gas-phase collisions is an important but poorly understood process. You will use state-of-the-art crossed molecular beam scattering methods, with velocity-map ion-imaging detection, to probe the dynamics of the quenching of electronically excited NO in unprecedented detail. In collaboration with theoreticians you will determine the specific scattering mechanisms involved, and hence, for the first time, develop a full understanding of the underlying potential energy surfaces and non-adiabatic processes that control quenching,

Supervisor: Prof M. L. Costen

URL: https://www.findaphd.com/phds/project/stereodynamics-of-gas-phase-electronic-quenching-experiment-and-theory/?p128641

DTP2021/03: Modelling Solid-State Molecular OrganoMetallic (SMOM) Chemistry 

This project is in computational chemistry and aims to understand the chemistry of transition metal alkane complexes, their relationship to C-H activation and developing catalytic transformations of alkanes to alkenes and other valuable chemical feedstocks.  A range of techniques will be employed including static periodic DFT calculations, molecular dynamics and electronic structure analyses. There will also be opportunities to explore method development by defining new force fields for these SMOM systems.

Supervisor: Prof. S. A. Macgregor

URL: https://www.findaphd.com/phds/project/modelling-solid-state-molecular-organometallic-smom-chemistry/?p128643

EPS2021/86: Fundamentals and applications of scattering at the gas-liquid interface

You will explore new directions in the field of gas-liquid interfacial scattering. We have shown that fundamental investigations not only lead to improved mechanistic understanding, including processes directly relevant to atmospheric aerosol chemistry, but also can be exploited as a new method to probe the surface structures of technologically interesting materials, including ionic liquids. You will extend both of these aspects, as part of a vibrant research team supported by a major EPSRC Programme Grant.

Supervisor: Prof K.G. McKendrick

URL: https://www.findaphd.com/phds/project/eps2021-86-fundamentals-and-applications-of-scattering-at-the-gas-liquid-interface/?p128555

DTP2021/04: Novel Methods for Modelling Photochemical Dynamics

As part of a recently funded team combining expertise in electronic structure theory with quantum molecular dynamics the project will involve the application of newly developed methods to cutting edge problems in photochemistry. These will include the use of multi-reference electronic structure approaches, investigating non-adiabatic reactions on multiple potential energy surfaces, coordination complexes for photodynamic anti-cancer therapies, and systems for use in organic optoelectronics.

Supervisor: Prof. M. J. Paterson

URL: https://www.findaphd.com/phds/project/novel-methods-for-modelling-photochemical-dynamics/?p128640

ICS

ICS2021/01: To be advised

Details awaited.

Supervisor: To be advised

URL: Vacancy awaited

JWS

EPS2021/10: Surface-Hopping Dynamics of Electronically Excited Processes in Photochemistry and Scattering

This project will involve simulation of electronically excited molecules undergoing various processes including quenching through collision, reactive photochemistry, internal conversion and intersystem crossing. Of particular interest will be contrasting approaches for unimolecular and bimolecular processes. This work will tie into our ongoing work in theoretical photochemistry and collaboration with leading experimental groups in both molecular scattering and ultrafast photochemistry, funded in part through a major EPSRC Programme Grant (https://molecularscattering.com/).

Supervisor: Prof. M.J. Paterson

URL: https://www.findaphd.com/phds/project/eps2021-10-surface-hopping-dynamics-of-electronically-excited-processes-in-photochemistry-and-scattering/?p128315

EPS2021/11: Inelastic and Reactive Scattering Dynamics of NO and OH

The NO and OH radicals are important in a wide range of environments, including planetary atmospheres, combustion and technological plasmas. You will use state-of-the-art crossed molecular beam scattering methods, with velocity-map ion-imaging detection, to probe the dynamics of the inelastic and reactive scattering of NO and OH in unprecedented detail. In collaboration with theoreticians, you will determine the specific scattering mechanisms involved, and hence the underlying potential energy surfaces describing the molecular interactions. This work is part of a large collaboration funded through a major EPSRC Programme Grant (https://molecularscattering.com/).

Supervisor: Prof M.L. Costen

URL: https://www.findaphd.com/phds/project/eps2021-11-inelastic-and-reactive-scattering-dynamics-of-no-and-oh/?p128316

EPS2021/12: Dynamics of Atmospherically Relevant Gas-Liquid Surface Reactions I: Velocity-Map Imaging Probes

You will study chemical reactions at the gas-liquid interface in unprecedented detail, using high-resolution laser-based techniques coupled with velocity-map imaging (VMI) methods.  This imaging technique allows us to take ‘pictures’ of the fate of products of a chemical reaction, which will enable us to develop an in-depth understanding of the mechanisms involved with reactants such as Cl radicals.  In combination with computational techniques, you will be able to unravel the intricate multichannel dynamics that occur at atmospherically relevant gas-liquid interfaces with unprecedented resolution. This work is part of a large collaboration funded through a major EPSRC Programme Grant (https://molecularscattering.com/).

Supervisor: Dr S.J. Greaves

URL: https://www.findaphd.com/phds/project/eps2021-12-dynamics-of-atmospherically-relevant-gas-liquid-surface-reactions-i-velocity-map-imaging-probes/?p128317

EPS2021/13: Dynamics of Atmospherically Relevant Gas-Liquid Surface Reactions II: Real-Space Imaging and Advanced Laser Absorption Probes

You will develop and exploit novel, laser-based techniques to probe the scattering of key reactive molecules, such as the OH radical, at liquid surfaces. Sequences of laser-induced fluorescence real-space images will reveal the survival probability and speed and angular distributions of the scattered OH. This will provide unprecedented mechanistic insight on reactions at different liquid and related surfaces chosen to mimic atmospheric aerosol surfaces. It will be complemented by additional novel laser-absorption methods that probe the products of these reactions directly. This work is part of a large collaboration funded through a major EPSRC Programme Grant (https://molecularscattering.com/).

Supervisor: Prof K.G. McKendrick

URL: https://www.findaphd.com/phds/project/eps2021-13-dynamics-of-atmospherically-relevant-gas-liquid-surface-reactions-ii-real-space-imaging-and-advanced-laser-absorption-probes/?p128320

EPS2021/14: Reactive-Atom Scattering as a Novel Probe of Ionic-Liquid Surfaces

Ionic liquids have a unique combination of physical properties. Among their wealth of potential applications are processes, such as multiphase catalysis, where their surfaces are of primary interest. You will develop new methods to probe their composition and structure, building on our recent demonstration that reactive-atom scattering coupled with laser-induced fluorescence has high surface selectivity and chemical specificity. This work is part of an EPSRC-funded project, in which the collaborators will provide expertise in chemical synthesis, complementary measurements, and industrially relevant applications.

Supervisor: Prof K.G. McKendrick

URL: https://www.findaphd.com/phds/project/eps2021-14-reactive-atom-scattering-as-a-novel-probe-of-ionic-liquid-surfaces/?p128321

EPS2021/09: PhD Position in Computational Organometallic Chemistry and Catalysis

A range of projects are available reflecting the ongoing interests of the group and can be tailored to the interests and experience of the candidate. Projects include: (i) transition metal-catalysed C-H functionalisation reactions; (ii) understanding the electronic structure of heterobimetallic complexes as a basis for their use in catalysis (iii) the molecular organometallic chemistry of sigma-alkane complexes in the solid state.  All projects involve close collaboration with experimental groups.

Supervisor: Prof. S. A. Macgregor

URL: https://www.findaphd.com/phds/project/eps2021-09-phd-position-in-computational-organometallic-chemistry-and-catalysis/?p128313

ICASE (Industrial CASE Studentships)

Future vacancies are awaited.

Requirements:

All applicants must have or expect to hace a 1st or 2:1 class MChem, or equivalent degree.  There are also residence requirements, which can be found here: https://epsrc.ukri.org/skills/students/guidance-on-epsrc-studentships/eligibility/

Selection will be based on academic excellence and research potential, and all short-listed applicants will be interviewed (in person or via Microsoft Teams).

LEVEL OF AWARD:

The EPSRC Industrial CASE studentship includes a stipend (ca. £15k per annum, untaxed) and all tuition fees for four years.

ICASE

ICASE2020/01: To be advised

Details awaited.

Supervisor: To be advised

URL: Vacancy awaited

ICASE2020/02: To be advised

Details awaited.

Supervisor: To be advised

URL: Vacancy awaited

How to apply:

When applying for Studentships, please read over our advice on: How to Apply.