Molecular Dynamics Simulations of Proton Transport in 3M and Nafion Perfluorosulfonic Acid Membranes

Proton transfer and local structures in 3M (EW 825) and Nafion (EW 890) membranes are investigated in this study by both standard nonreactive molecular dynamics and the self-consistent iterative multistate empirical valence bond method, which is capable of simulating multiple reactive protons and ac...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of physical chemistry. C 2013-04, Vol.117 (16), p.8079-8091
Hauptverfasser:	Tse, Ying-Lung Steve, Herring, Andrew M, Kim, Kwiseon, Voth, Gregory A
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals Physics Structure of solids and liquids crystallography
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!