The development of materials for clean and efficient energygeneration and storage is one of the most rapidly developing,multi-disciplinary areas of contemporary science, driven primarilyby concerns over global warming, diminishing fossil-fuel reserves,the need for energy security, and increasing consumer demand forportable electronics. Computational methods are now an integral andindispensable part of the materials characterisation anddevelopment process.
Computational Approaches to Energy Materials presents adetailed survey of current computational techniques for thedevelopment and optimization of energy materials, outlining theirstrengths, limitations, and future applications. The reviewof techniques includes current methodologies based on electronicstructure, interatomic potential and hybrid methods. Themethodological components are integrated into a comprehensivesurvey of applications, addressing the major themes in energyresearch.
Topics covered include:
* Introduction to computational methods andapproaches
* Modelling materials for energy generationapplications: solar energy and nuclear energy
* Modelling materials for storage applications:batteries and hydrogen
* Modelling materials for energy conversionapplications: fuel cells, heterogeneous catalysis and solid-statelighting
* Nanostructures for energy applications
This full colour text is an accessible introduction fornewcomers to the field, and a valuable reference source forexperienced researchers working on computational techniques andtheir application to energy materials.