Accelerated Inorganic Materials Discovery Driven by Magnetic Resonance

Description

This studentship will explore experimental and computational Nuclear Magnetic Resonance (NMR) spectroscopy approaches to probe the fast oxide ion transport (e.g., self-diffusion coefficients, diffusion pathways, dimensionality of motion) of oxide in inorganic materials aimed at establishing design rules for the discovery of next generation fast conductors. The project will (1) develop automated, programmable approaches to data analysis of the NMR measurables that access motion over several time- and length-scales, (2) exploit statistical modelling frameworks to quickly predict NMR properties with high accuracy, validated by experimental NMR measurements, and (3) harness these approaches to build and accelerate structural and diffusion models (e.g., compositional, positional disorders). Examples of current research effort focusing on NMR for oxide and lithium ion transport, and beyond are given.

A team with complementary expertise in materials discovery, NMR, calculations, and modelling has been assembled to address challenging issues in understanding oxide ion transport. This will be further facilitated by access to state-of-the-art local NMR facilities operating at up to 18.8 T (800 MHz 1H frequency), be able to perform experiments at world-leading large scale NMR research facilities including at the UK High-Field Solid-State NMR Facility (that operates NMR systems at 20 T (850 MHz 1H frequency), 23.5 T (1 GHz 1H frequency) and soon 28.2 T (1.2 GHz 1H frequency)) under a wide range of temperatures (100 to 1000 K), linking this programme, the Materials Innovation Factory at Liverpool with other world-leading research facilities and offering an outstanding student training experience and enabling the successful applicant to expand their research vision and interest.

The student recruited to this project will be part of a cohort-training programme focused on the application of digital methods (data and physics based, robotics and automation) to materials chemistry and will be based in the Materials Innovation Factory at Liverpool.

Please apply by completing the online postgraduate research application form here: How to apply for a PhD - University of Liverpool 

Please ensure you include the project title and reference number CCPR118 when applying

Applicants are advised to apply as soon as possible.

We want all of our staff and students to feel that Liverpool is an inclusive and welcoming environment that actively celebrates and encourages diversity. We are committed to working with students to make all reasonable project adaptations including supporting those with caring responsibilities, disabilities or other personal circumstances. For example, If you have a disability you may be entitled to a Disabled Students Allowance on top of your studentship to help cover the costs of any additional support that a person studying for a doctorate might need as a result.