Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations

Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations

© 2015 Elsevier Ltd. Clarification of proton transfer mechanisms is crucial to the development of proton exchange membrane fuel cells (PEMFCs). Nitrogen-containing heterocyclic compounds (e.g., imidazole derivatives) are well known for their potential to assist proton hopping through hydrogen bond n...

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Bibliographic Details
Main Authors: Piyarat Nimmanpipug, Teerawit Laosombat, Vannajan Sanghiran Lee, Sornthep Vannarat, Suwabun Chirachanchai, Janchai Yana, Kohji Tashiro
Format: Journal
Published: 2018
Subjects:
Chemical Engineering
Chemistry
Engineering
Mathematics
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84937232414&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/54237
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Institution: Chiang Mai University

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http://cmuir.cmu.ac.th/jspui/handle/6653943832/54237

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