Investigate Energy Related Materials Using Advanced Modelling Techniques

Dear Colleagues,

Growing energy demand for the next-generation of high capacity energy storage systems depends on the discovery of a novel class of materials exhibiting high energy density, low cost, high abundance and environmental friendliness. A broad range of materials have been examined to address the challenges identified in energy storge devices such as batteries and solid oxide fuel cells. Major breakthroughs in new materials are still crucial to improve the performance of the devices required for large-scale applications. A greater fundamental understanding of new classes of materials is necessary to optimise the performance of the devices.

Advanced computational modelling techniques have played a significant role in the experimental characterisation and the prediction of novel materials and their properties. Advanced modelling techniques—including interatomic potential-based methods and electronic structure methods have the ability to examine defect chemistry, ion transport, nanostructures, and surfaces—which are often difficult to explore through experiments. This Special Issue will focus on the fundemental understanding of energy-related materials using advanced computational modelling techniques.

Prof. Alexander Chroneos
Dr. Navaratnarajah Kuganathan
Guest Editors

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