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Structure and Dynamics of Energy Materials

Understanding structure and how it evolves during chemical processes is critical. We aim to establish the principles governing the structure and dynamics of molecules and materials. We then apply this understanding to a broad set of applications.

Our research

Our academics have strong links with both industry and academia.

Research includes studying properties of matter under non-equilibrium and extreme conditions.

We seek a deeper understanding of the functional properties of materials, to enhance their application in emerging technologies.

X-ray diffraction is one of our key strengths within the research group.

Advanced materials for energy network

We lead the North East Centre for Energy Materials (NECEM). This is part of the EPSRC established Advanced Materials for Energy Network.

Collaborative network for X-Ray spectroscopy

We lead the Collaborative Network for X-Ray Spectroscopy (CONEXS), an EPSRC-funded network which aims to establish a UK community for X-ray spectroscopy.

We have received significant funding from both the UK, the EU and industry.

Key strengths

Our key strengths include:

  • x-ray diffraction
  • advanced spectroscopy
  • energy materials
  • excited state processes and dynamics
  • theory and computation

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Themes

We work across a number of complementary themes and exploit interdisciplinary relationships to maximise academic, societal and economic impact.

Energy materials

Research includes fundamental studies into potential materials for:

• photovoltaics (PV)
• photocatalysis
• organic light emitting diodes
• fuel cells
• energy storage

We study molecular, semiconductor, crystalline and nano-materials for potential future energy applications.

The research involves collaborations across academia and industry.

It includes studies of both emerging materials and also new technologies.

Research leaders

Structural chemistry

Research involves the development and use of bespoke, sophisticated and globally unique instruments.

A major focus of our research is the influence of external stimuli (temperature, pressure and light) on the crystalline state.

We correlate the structural response (dynamics) with these perturbations from ambient conditions.

These studies include:

• probing materials with novel electronic and/or magnetic properties
• looking at fundamental impact of extreme conditions on the crystallisation process

Research leaders

Theory and computation

Theory and computations are important tools for providing atomistic insight into structure.

Research in this area is focused upon the nanoscience of surfaces and interfaces. We achieve this by modelling electronic structures and transport with state-of–the-art codes.

Deep mechanistic understanding of non-equilibrium dynamics, such as chemical reactivity, can also be achieved with theory.

Research develops and applies quantum dynamics methods to study processes occurring in excited states.

Wherever possible, our academics combine our simulations with time-resolved experiments, such as those performed at X-ray Free Electron Lasers.

Research leaders

Spectroscopy

An important part of our work involves the construction and use of advanced instrumentation.

We perform time-resolved optical and infra-red spectroscopy. We characterise important photophysical processes in the context of energy materials and photonics.

The broadband microwave spectrometer at Newcastle University is globally-unique. It has excellent capabilities for the study of isolated molecules and complexes.

Recent research in microwave spectroscopy has explored:

• interactions between nitrogenous bases significant in biochemistry
• the gas phase chemistry of isolated atoms of the important catalysts, platinum and palladium

We also aim to record “fingerprint” spectra that can be used to identify chemicals within the interstellar medium and within circumstellar shells.

Research leaders

Publications

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