WMD Research

Our research combines aspects of chemistry, physics, engineering, mathematics and computer science. The primary computational tools we employ are Density Functional Theory (quantum mechanics) and Analytical Pair-Potentials (molecular mechanics), as well as their combination in Multi-Scale Methods. We also work on computer-controlled materials synthesis by piezoelectric printing (see Equipment).

Active Projects:

Solar Cells

Light-absorbing materials and architectures for solar cell applications. Important factors include low-cost and abundant elements, strong light absorption, and control of electronic defects. Our interests cover inorganic, dye and hybrid photovoltaics, including kesterite and stannite structured quaternary semiconductors.

Current systems: Cu2ZnSnS4; Cu2ZnSnSe4; CdSe; ZnSe; GaN; Cu2O; CuSbS2.

Support: EPSRC Solar Fuels (2011-2013); EPSRC SuperSolar (2012-2017); Marie Curie ITN - DESTINY (2013 - 2016)

Key publication: Advanced Energy Materials (2012)

Industry Collaboration: IMRA; SPECIFIC; UK Kesterite Network

Hybrid Semiconductors

Metal-organic frameworks (MOF), where isolated metal centres are linked by organic ligands, have received attention for gas storage and catalysis. Our main interest is in electro, photo and redox-active hybrid materials, which could be used for light-to-electricity conversion in hybrid LEDs and solar cells.

Current systems: MOF based on TiO2, PbS, HgS and PbF2.

Support: ERC Research Grant (2012-2017)

Key publication: Proc. Royal Society A (2011)

Solar Fuels

We are researching new materials to enable the conversion of light to chemical energy, for which water decomposition into gaseous oxygen and hydrogen is an ideal reaction. The challenge is to find light absorbing materials that remain stable in aqueous environments.

Support: Royal Society Research Grant (2012-2015); EPSRC Programme (2013-2018)

Current systems: Fe2O3; BiVO4; CoAl2O4.

Key publication: Energy & Environmental Science (2009)

Transparent Conducting Oxides

This class of materials are transparent to visible light, but conduct electricity, making them essential components for solar cells, flat-panel displays and light-emitting diodes. We are addressing thermodynamic stability, doping limits and interfacial properties. 

Support: Chinese National Science Foundation (2010-2012); EPSRC SuperSolar (2012-2017)

Current systems: SnO2; In2O3; ZnO; SrCu2O2; CuCrO2; CuBO2

Key publication: Chemical Communications (2011)

Industry Collaboration: Pilkington/NSG