Ab initio study of interfacial correlations in polymer electrolyte membranes for fuel cells at low hydration

Electrochimica Acta

Volumn 53, Issue 23, 2008, Pages 6920-6927

  Narasimachary, Sudha P ^a   Roudgar, Ata ^a   Eikerling, Michael H ^a,b  

^a SIMON FRASER UNIVERSITY   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Ab initio calculations; Array of proton binding surface groups; Interfacial correlations; Minimal hydration; Polymer electrolyte membranes; Proton dissociation

Indexed keywords

CELL MEMBRANES; CHEMICALS; CONFORMATIONS; CORRELATION METHODS; CURVE FITTING; DIRECT ENERGY CONVERSION; ELECTRIC BATTERIES; ELECTROCHEMISTRY; ELECTROLYSIS; ELECTROLYTES; ELECTROLYTIC REDUCTION; FUEL CELLS; GAS FUEL PURIFICATION; HYDRATION; POLYELECTROLYTES; POLYMERS; PROTONS; SOLID OXIDE FUEL CELLS (SOFC);

(+ MOD 2N) OPERATION; (I ,J) CONDITIONS; AB INITIO STUDIES; ACID DISSOCIATION; CARBON ATOMS; CHEMICAL ARCHITECTURE; CONFORMATIONAL FLEXIBILITY; CRITICAL COMPONENTS; CRITICAL DENSITIES; ELEVATED TEMPERATURES; ELSEVIER (CO); FORMATION ENERGIES; FUNCTIONALIZED; HEXAGONAL ARRAYS; MEMBRANE DEHYDRATION; POLYMER AGGREGATES; POLYMER ELECTROLYTE FUEL CELLS (PEFCS); POLYMER-ELECTROLYTE-MEMBRANE (PEM); PROTON BINDINGS; PROTON MOBILITY; PROTON TRANSPORT (PT); PROTON-CONDUCTION; STRUCTURAL CORRELATIONS; SURFACE GROUPS; TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31);

TWO DIMENSIONAL;

EID: 47249142346     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2008.01.106     Document Type: Article

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