Engineering Commons^™

Theory Of Carrier Transport From First Principles: Applications In Photovoltaic And Thermoelectric Materials, Alireza Faghaninia

McKelvey School of Engineering Theses & Dissertations

New sources of energy that are environmentally friendly, cost-effective, and renewable are essential if we are to combat the effects of global climate change. Two of these sources are solar photovoltaic (PV) cells to convert sunlight into electricity and thermoelectric (TE) devices to convert heat to electricity. To be practical on a large scale, the properties (e.g. electrical conductivity, band gap, Seebeck coefficient, etc) of the the underlying materials must be improved significantly through judicious control of structure and composition. Significant understanding of materials properties is required to design and engineer new high-performing materials. First principles calculations using density functional …