Revealing the Mechanisms of Proton Conduction in Phosphorous Acid based Systems: A Unique Class of Proton Conductors

The concept of “hydrogen bond network frustration” (imbalance of number of proton donors and acceptors) provides a useful concept for explaining the very high intrinsic proton conductivity of  phosphoric acid (and related systems).

K. D. Kreuer, G. Lentz, N. Hainovsky, J. Maier, and H. Küppers 
Saure Sulphate, Selenate und Phosphate: Protonenleitung und Struktur 
Berichte der Deutschen Mineralogischen Gesellschaft, Beitrag zum European Journal of Mineralogy 4(1), 162–162 (1992).

Th. Dippel, K. D. Kreuer, J. C. Lassègues, and D. Rodriguez 
Proton conductivity in fused phosphoric acid; A 1H/31P PFG-NMR and QNS study 
Solid State Ionics 61(1–3), 41–46 (1993). 
DOI: 10.1016/0167-2738(93)90332-W

K.-D. Kreuer 
Proton Conductivity: Materials and Applications 
Chemistry of Materials 8(3), 610–641 (1996). 
DOI: 10.1021/cm950192a

G. Harley, K.-D. Kreuer, J. Maier, and L. C. De Jonghe 
Structural investigation of ternary La/alkaline earth phosphate (La(1-x)MxP3Oy) (M=Ba, Ca, Sr) glasses 
Journal of Non-Crystalline Solids 355(16-17), 932–937 (2009). 
DOI: 10.1016/j.jnoncrysol.2009.04.023

L. Vilciauskas and K.-D. Kreuer 
Comment on “Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations” 
Chemistry of Materials 23(14), 3377–3378 (2011). 
DOI: 10.1021/cm200865v

L. Vilciauskas, C. C. de Araujo, and K.-D. Kreuer 
Proton conductivity and diffusion in molten phosphinic acid (H3PO2): The last member of the phosphorus oxoacid proton conductor family 
Solid State Ionics 212, 6–9 (2012). 
DOI: 10.1016/j.ssi.2012.02.019

L. Vilciauskas, M. E. Tuckerman, G. Bester, S. J. Paddison, and K.-D. Kreuer 
The mechanism of proton conduction in phosphoric acid 
Nature Chemistry 4(6), 461–466 (2012). 
DOI: doi:10.1038/nchem.1329

L. Vilciauskas, M. E. Tuckerman, J. P. Melchior, G. Bester, and K.-D. Kreuer 
First principles molecular dynamics study of proton dynamics and transport in phosphoric acid/Imidazolemidazole (2:1) system 
Solid State Ionics 252, 34–39 (2013). 
DOI: 10.1016/j.ssi.2013.07.003

J.-P. Melchior, G. Majer, and K.-D. Kreuer 
Why do proton conducting polybenzimidazole phosphoric acid membranes perform well in high-temperature PEM fuel cells? 
Physical Chemistry Chemical Physics, published online, 2016. 
DOI: 10.1039/C6CP05331A

J.-P. Melchior, K.-D. Kreuer, and J.Maier 
Proton conduction mechanisms in the phosphoric acid–water system (H4P2O7–H3PO4–H3PO4 cdot 2H2O): a 1H, 31P and 17O PFG-NMR and conductivity study 
Physical Chemistry Chemical Physics, published online, 2016. 
DOI: 10.1039/C6CP04855B

R. A. Krueger, L. Vilciauskas, J.-P. Melchior, G. Bester, and K.-D. Kreuer 
Mechanism of Efficient Proton Conduction in Diphosphoric Acid Elucidated via First-Principles Simulation and NMR 
The Journal of Physical Chemistry B 119(52), 15866–15875 (2015). 
DOI: 10.1021/acs.jpcb.5b09684

Poster: Why do Proton Conducting Polybenzimidazole Phosphoric Acid Membranes perform well in High-Temperature Fuel Cells?

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