Computational Chemistry in Proton Exchange Membrane for Polymer Electrolyte Fuel Cells

Abstract

Toward the practical application of polymer electrolyte fuel cell (PEFC), it is important to achieve the low humidity　operation for easier water management of the system, rapid start-up, and higher load following properties. For this　purpose, the development of polymer electrolyte working in low humidity condition is essential. To design the new　polymer electrolyte with higher proton conductivity in low humidity condition, fundamental understandings of electrolyte　materials at the atomistic and molecular level are important. In this manuscript, we reviewed recent research　activities on polymer electrolyte for PEFC by using the computational chemistry approach.