Chapters authored
Hydroxide Transport in Anion-Exchange Membranes for Alkaline Fuel Cells
In this chapter are described the characteristics of transport of hydroxide ions through hydrated polymeric materials with potential application in alkaline fuel cells are described. First, it is made a brief description of anion-exchange membrane fuel cells (AEMFCs), their evolution and key characteristics. Then, this chapter presents a detailed classification of the different types of polymers that have been proposed for AEMFCs and their state of development. After that, mechanisms involved in the transport of hydroxide ions through hydrated anion-exchange membranes are described and discussed, making emphasis in the theoretical approaches applied for their study and their implementation and representability in global transport models. In the final section, it is summarized the key features of the chapter and is made a brief discussion about challenges and future work required for the consolidation of this promising technology.
Part of the book: New Trends in Ion Exchange Studies
Modeling with DFT and Chemical Descriptors Approach for the Development of Catalytic Alloys for PEMFCs
Material properties and process modeling with density functional theory (DFT) is an accurate method to facilitate the study and the design of materials computationally for the development of different electrochemical technologies such as fuel cells, solar cells, and batteries, among others, mainly to achieve alternative ways for energy conversion and storage. Considering the relevance of DFT in the development of these alternative technologies for energy generation and storage, in this chapter, the application of DFT to study catalytic alloys and their reactivity processes to develop polymer membrane fuel cells (PEMFCs) is presented. In this sense, firstly, a brief review of the application of DFT to develop catalysts for PEMFCs and the relation with the concept of chemical descriptors is presented. Secondly, the main chemical descriptors for this task are presented and discussed. Finally, a summary of the main findings of the modeling with DFT and chemical descriptors approach of catalytic alloys for PEMFCs is presented and analyzed.
Part of the book: Density Functional Theory