Two PhD studentship in Chemistry (photocatalysis, solar cells and organic light emitting diodes) UK

Two fully-funded PhD studentships are available to join the newly established (from 1st September 2015) Theory and Computational Chemistry group at Newcastle University. These positions will focus upon simulating and rationalising the excited state dynamics of molecular emitters used in Organic Light Emitting Diodes (OLEDs).The excited state properties of a wide variety of molecular systems are becoming increasingly exploited for applications such as photocatalysis, solar cells and organic light emitting diodes (OLEDs). While many systematic chemical studies into a large number of photoactive molecules has led to general design rules for each application, because of the close interplay between many competing properties, it is very difficult is to control all of these aspects at once. Consequently, continued development and improvement in this area calls for a detailed understanding of their photophysical properties and places a great emphasis upon theoretical simulations.

Computational Studies of the Excited State Dynamics of Emitters Used in Organic Light Emitting Diodes (OLEDs) A full award covers tuition fees at the UK/EU rate and an annual stipend at RCUK rate of £13,863 (2014/15). Application closing date 1 August 2015

The focus of these research projects is to use multi-scale modelling to achieve a complete understanding of complexes and materials for a new class of OLEDs that exploit thermally activated delayed fluorescence. Importantly this mechanism reduces the reliance upon rare transition metals, such as Ir and Pt and opens the possibility to achieve high performing devices containing only lighter more abundant elements.

These studentships offer exciting opportunities for highly motivated individuals with a keen interest in theoretical and computational chemistry. The research will involve electronic structure calculations, using both density functional and post Hartree-Fock methods, classical and ab initio molecular dynamics and quantum dynamics within the framework of the multi-configurational timed-dependent Hartree (MCTDH) approach. They therefore provide the successful applicants with a high level of expertise in a wide range of computational approaches.


School of Chemistry, Newcastle University

Name of supervisor(s)

Dr Thomas J Penfold, School of Chemistry

Eligibility Criteria

You must have, or expect to achieve, a first or 2:1 MChem or BSc degree in Chemistry.

The award is fully funded to both UK and EU applicants.

International applicants will be accepted but will be eligible for funding for tuition fees only.

How to apply

All interested applicants must apply through the University’s online postgraduate application form. Only mandatory fields need to be completed on the form however please include the following information:

insert the programme code 8100F in the programme of study section.

select ‘PhD School of Chemistry – Chemistry’ as the programme of study.

insert the studentship code CY019 in the studentship/partnership reference field

attach a covering letter and CV.  The covering letter must state the title of the studentship, the studentship code CY019 and state how your interests and experience relate to the project

if English is not your first language a copy of your English language qualifications must be attached.

Commences 28 September 2015 or 11 January 2016 for three years.