Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems

• Main Authors: Piyarat Nimmanpipug, Janchai Yana, Vannajan Sanghiran Lee, Sornthep Vannarat, Suwabun Chirachanchai, Kohji Tashiro
• Format: Journal
• Published: 2018
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84872090852&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/48162
• Institution: Chiang Mai University

Proton transfer is a governing factor in the proton exchange efficiency in membrane fuel cells (PEMFCs), which are an alternative environmentally friendly resource. To develop the capacity of the PEMFC system, anhydrous membranes containing imidazole groups have garnered much interest. In this resea...