-
2
-
-
7644219892
-
State of Understanding of Nafion
-
Mauritz, K. A.; Moore, R. B. State of Understanding of Nafion Chem. Rev. 2004, 104, 4535-4586
-
(2004)
Chem. Rev.
, vol.104
, pp. 4535-4586
-
-
Mauritz, K.A.1
Moore, R.B.2
-
3
-
-
39949084164
-
Short-Side-Chain Proton Conducting Perfluorosulfonic Acid Ionomers: Why They Perform Better in PEM Fuel Cells
-
Kreuer, K. D.; Schuster, M.; Obliers, B.; Diat, O.; Traub, U.; Fuchs, A.; Klock, U.; Paddison, S. J.; Maier, J. Short-Side-Chain Proton Conducting Perfluorosulfonic Acid Ionomers: Why They Perform Better in PEM Fuel Cells J. Power Sources 2008, 178, 499-509
-
(2008)
J. Power Sources
, vol.178
, pp. 499-509
-
-
Kreuer, K.D.1
Schuster, M.2
Obliers, B.3
Diat, O.4
Traub, U.5
Fuchs, A.6
Klock, U.7
Paddison, S.J.8
Maier, J.9
-
4
-
-
77649246601
-
Proton Exchange Membranes for High Temperature Fuel Cells: Equivalent Weight and End Group Effects on Conductivity
-
Maalouf, M.; Pyle, B.; Sun, C.-N.; Wu, D.; Paddison, S. J.; Schaberg, M.; Emery, M.; Lochhaas, K. H.; Hamrock, S. J.; Ghassemi, H. Proton Exchange Membranes for High Temperature Fuel Cells: Equivalent Weight and End Group Effects on Conductivity ECS Trans. 2009, 25, 1473-1481
-
(2009)
ECS Trans.
, vol.25
, pp. 1473-1481
-
-
Maalouf, M.1
Pyle, B.2
Sun, C.-N.3
Wu, D.4
Paddison, S.J.5
Schaberg, M.6
Emery, M.7
Lochhaas, K.H.8
Hamrock, S.J.9
Ghassemi, H.10
-
5
-
-
77952133006
-
Molecular Dynamics Modeling of Proton Transport in Nafion and Hyflon Nanostructures
-
Karo, J.; Aabloo, A.; Thomas, J. O.; Brandell, D. Molecular Dynamics Modeling of Proton Transport in Nafion and Hyflon Nanostructures J. Phys. Chem. B 2010, 114, 6056-6064
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 6056-6064
-
-
Karo, J.1
Aabloo, A.2
Thomas, J.O.3
Brandell, D.4
-
6
-
-
84864240445
-
Insight from Molecular Modelling: Does the Polymer Side Chain Length Matter for Transport Properties of Perfluorosulfonic Acid Membranes?
-
Devanathan, R.; Dupuis, M. Insight from Molecular Modelling: Does the Polymer Side Chain Length Matter for Transport Properties of Perfluorosulfonic Acid Membranes? Phys. Chem. Chem. Phys. 2012, 14, 11281-11295
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 11281-11295
-
-
Devanathan, R.1
Dupuis, M.2
-
7
-
-
84871790016
-
Molecular Dynamics Simulations of Side Chain Pendants of Perfluorosulfonic Acid Polymer Electrolyte Membranes
-
Sunda, A. P.; Venkatnathan, A. Molecular Dynamics Simulations of Side Chain Pendants of Perfluorosulfonic Acid Polymer Electrolyte Membranes J. Mater. Chem. A 2013, 1, 557-569
-
(2013)
J. Mater. Chem. A
, vol.1
, pp. 557-569
-
-
Sunda, A.P.1
Venkatnathan, A.2
-
8
-
-
84876843303
-
Molecular Dynamics Simulations of Proton Transport in 3m and Nafion Perfluorosulfonic Acid Membranes
-
Tse, Y.-L. S.; Herring, A. M.; Kim, K.; Voth, G. A., Molecular Dynamics Simulations of Proton Transport in 3m and Nafion Perfluorosulfonic Acid Membranes. J. Phys. Chem. C 2013.
-
(2013)
J. Phys. Chem. C
-
-
Tse, Y.-L.S.1
Herring, A.M.2
Kim, K.3
Voth, G.A.4
-
9
-
-
24944558148
-
Molecular Modeling of the Short-Side-Chain Perfluorosulfonic Acid Membrane
-
Paddison, S. J.; Elliott, J. A. Molecular Modeling of the Short-Side-Chain Perfluorosulfonic Acid Membrane J. Phys. Chem. A 2005, 109, 7583-7593
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7583-7593
-
-
Paddison, S.J.1
Elliott, J.A.2
-
10
-
-
42449112168
-
Molecular Modeling of Proton Transport in the Short-Side-Chain Perfluorosulfonic Acid Ionomer
-
Hristov, I. H.; Paddison, S. J.; Paul, R. Molecular Modeling of Proton Transport in the Short-Side-Chain Perfluorosulfonic Acid Ionomer J. Phys. Chem. B 2008, 112, 2937-2949
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 2937-2949
-
-
Hristov, I.H.1
Paddison, S.J.2
Paul, R.3
-
11
-
-
77954055389
-
On the Relationship between Polymer Electrolyte Structure and Hydrated Morphology of Perfluorosulfonic Acid Membranes
-
Liu, J.; Suraweera, N.; Keffer, D. J.; Cui, S.; Paddison, S. J. On the Relationship between Polymer Electrolyte Structure and Hydrated Morphology of Perfluorosulfonic Acid Membranes J. Phys. Chem. C 2010, 114, 11279-11292
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 11279-11292
-
-
Liu, J.1
Suraweera, N.2
Keffer, D.J.3
Cui, S.4
Paddison, S.J.5
-
12
-
-
53349175966
-
An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport
-
Wu, Y.; Chen, H.; Wang, F.; Paesani, F.; Voth, G. A. An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport J. Phys. Chem. B 2008, 112, 7146-7146
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 7146-7146
-
-
Wu, Y.1
Chen, H.2
Wang, F.3
Paesani, F.4
Voth, G.A.5
-
13
-
-
0001213767
-
The Computer Simulation of Proton Transport in Water
-
Schmitt, U. W.; Voth, G. A. The Computer Simulation of Proton Transport in Water J. Chem. Phys. 1999, 111, 9361-9381
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 9361-9381
-
-
Schmitt, U.W.1
Voth, G.A.2
-
14
-
-
11644271492
-
Multistate Empirical Valence Bond Model for Proton Transport in Water
-
Schmitt, U. W.; Voth, G. A. Multistate Empirical Valence Bond Model for Proton Transport in Water J. Phys. Chem. B 1998, 102, 5547-5551
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 5547-5551
-
-
Schmitt, U.W.1
Voth, G.A.2
-
15
-
-
0037159065
-
A Second Generation Multistate Empirical Valence Bond Model for Proton Transport in Aqueous Systems
-
Day, T. J. F.; Soudackov, A. V.; Cuma, M.; Schmitt, U. W.; Voth, G. A. A Second Generation Multistate Empirical Valence Bond Model for Proton Transport in Aqueous Systems J. Chem. Phys. 2002, 117, 5839-5849
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5839-5849
-
-
Day, T.J.F.1
Soudackov, A.V.2
Cuma, M.3
Schmitt, U.W.4
Voth, G.A.5
-
16
-
-
84866372225
-
Effects of Polymer Morphology on Proton Solvation and Transport in Proton-Exchange Membranes
-
Feng, S.; Savage, J.; Voth, G. A. Effects of Polymer Morphology on Proton Solvation and Transport in Proton-Exchange Membranes J. Phys. Chem. C 2012, 116, 19104-19116
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 19104-19116
-
-
Feng, S.1
Savage, J.2
Voth, G.A.3
-
17
-
-
33749584310
-
Characterization of the Solvation and Transport of the Hydrated Proton in the Perfluorosulfonic Acid Membrane Nafion
-
Petersen, M. K.; Voth, G. A. Characterization of the Solvation and Transport of the Hydrated Proton in the Perfluorosulfonic Acid Membrane Nafion J. Phys. Chem. B 2006, 110, 18594-18600
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 18594-18600
-
-
Petersen, M.K.1
Voth, G.A.2
-
18
-
-
79956113345
-
Proton Solvation and Transport in Hydrated Nafion
-
Feng, S.; Voth, G. A. Proton Solvation and Transport in Hydrated Nafion J. Phys. Chem. B 2011, 115, 5903-5912
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 5903-5912
-
-
Feng, S.1
Voth, G.A.2
-
19
-
-
15544364795
-
Excess Proton Solvation and Delocalization in a Hydrophilic Pocket of the Proton Conducting Polymer Membrane Narion
-
Petersen, M. K.; Wang, F.; Blake, N. P.; Metiu, H.; Voth, G. A. Excess Proton Solvation and Delocalization in a Hydrophilic Pocket of the Proton Conducting Polymer Membrane Narion J. Phys. Chem. B 2005, 109, 3727-3730
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 3727-3730
-
-
Petersen, M.K.1
Wang, F.2
Blake, N.P.3
Metiu, H.4
Voth, G.A.5
-
20
-
-
77749316169
-
Probing Selected Morphological Models of Hydrated Nafion Using Large-Scale Molecular Dynamics Simulations
-
Knox, C. K.; Voth, G. A. Probing Selected Morphological Models of Hydrated Nafion Using Large-Scale Molecular Dynamics Simulations J. Phys. Chem. B 2010, 114, 3205-3218
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 3205-3218
-
-
Knox, C.K.1
Voth, G.A.2
-
21
-
-
0002467378
-
Fast Parallel Algorithms for Short-Range Molecular Dynamics
-
Plimpton, S. Fast Parallel Algorithms for Short-Range Molecular Dynamics J. Comput. Phys. 1995, 117, 1-19
-
(1995)
J. Comput. Phys.
, vol.117
, pp. 1-19
-
-
Plimpton, S.1
-
22
-
-
84870908236
-
Computationally Efficient Multiconfigurational Reactive Molecular Dynamics
-
Yamashita, T.; Peng, Y.; Knight, C.; Voth, G. A. Computationally Efficient Multiconfigurational Reactive Molecular Dynamics J. Chem. Theory Comput. 2012, 8, 4863-4875
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 4863-4875
-
-
Yamashita, T.1
Peng, Y.2
Knight, C.3
Voth, G.A.4
-
23
-
-
20844444009
-
A Linear-Scaling Self-Consistent Generalization of the Multistate Empirical Valence Bond Method for Multiple Excess Protons in Aqueous Systems
-
Wang, F.; Voth, G. A. A Linear-Scaling Self-Consistent Generalization of the Multistate Empirical Valence Bond Method for Multiple Excess Protons in Aqueous Systems J. Chem. Phys. 2005, 122, 144105
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 144105
-
-
Wang, F.1
Voth, G.A.2
-
24
-
-
9144240095
-
Dreiding: A Generic Force Field for Molecular Simulations
-
Mayo, S. L.; Olafson, B. D.; Goddard, W. A. Dreiding: A Generic Force Field for Molecular Simulations J. Phys. Chem. 1990, 94, 8897-8909
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8897-8909
-
-
Mayo, S.L.1
Olafson, B.D.2
Goddard, W.A.3
-
25
-
-
0027624918
-
A Comparative-Study of Water-Uptake by and Transport through Ionomeric Fuel-Cell Membranes
-
Zawodzinski, T. A.; Springer, T. E.; Davey, J.; Jestel, R.; Lopez, C.; Valerio, J.; Gottesfeld, S. A Comparative-Study of Water-Uptake by and Transport through Ionomeric Fuel-Cell Membranes J. Electrochem. Soc. 1993, 140, 1981-1985
-
(1993)
J. Electrochem. Soc.
, vol.140
, pp. 1981-1985
-
-
Zawodzinski, T.A.1
Springer, T.E.2
Davey, J.3
Jestel, R.4
Lopez, C.5
Valerio, J.6
Gottesfeld, S.7
-
26
-
-
79952130294
-
-
Gaussian Inc. Wallingford CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision B.01; Gaussian Inc.: Wallingford CT, 2009.
-
(2009)
Gaussian 09, Revision B.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
27
-
-
1842584923
-
Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence
-
Jang, S. S.; Molinero, V.; Cagin, T.; Goddard, W. A. Nanophase- Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence J. Phys. Chem. B 2004, 108, 3149-3157
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 3149-3157
-
-
Jang, S.S.1
Molinero, V.2
Cagin, T.3
Goddard, W.A.4
-
28
-
-
30744437399
-
Flexible Simple Point-Charge Water Model with Improved Liquid-State Properties
-
Wu, Y. J.; Tepper, H. L.; Voth, G. A. Flexible Simple Point-Charge Water Model with Improved Liquid-State Properties J. Chem. Phys. 2006, 124, 024503
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 024503
-
-
Wu, Y.J.1
Tepper, H.L.2
Voth, G.A.3
-
29
-
-
84872873181
-
Simulation Study of Ion Pairing in Concentrated Aqueous Salt Solutions with a Polarizable Force Field
-
Luo, Y.; Jiang, W.; Yu, H.; MacKerell, A. D.; Roux, B. Simulation Study of Ion Pairing in Concentrated Aqueous Salt Solutions with a Polarizable Force Field Faraday Discuss. 2013, 160, 135-149
-
(2013)
Faraday Discuss.
, vol.160
, pp. 135-149
-
-
Luo, Y.1
Jiang, W.2
Yu, H.3
Mackerell, A.D.4
Roux, B.5
-
30
-
-
34447530805
-
Atomistic Simulations of Hydrated Nafion and Temperature Effects on Hydronium Ion Mobility
-
Venkatnathan, A.; Devanathan, R.; Dupuis, M. Atomistic Simulations of Hydrated Nafion and Temperature Effects on Hydronium Ion Mobility J. Phys. Chem. B 2007, 111, 7234-7244
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 7234-7244
-
-
Venkatnathan, A.1
Devanathan, R.2
Dupuis, M.3
-
31
-
-
36649009105
-
Atomistic Simulation of Nafion Membrane. 2. Dynamics of Water Molecules and Hydronium Ions
-
Devanathan, R.; Venkatnathan, A.; Dupuis, M. Atomistic Simulation of Nafion Membrane. 2. Dynamics of Water Molecules and Hydronium Ions J. Phys. Chem. B 2007, 111, 13006-13013
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 13006-13013
-
-
Devanathan, R.1
Venkatnathan, A.2
Dupuis, M.3
-
32
-
-
53049094372
-
Nature of Water Transport and Electro-Osmosis in Nafion: Insights from First-Principles Molecular Dynamics Simulations under an Electric Field
-
Choe, Y.-K.; Tsuchida, E.; Ikeshoji, T.; Yamakawa, S.; Hyodo, S.-a. Nature of Water Transport and Electro-Osmosis in Nafion: Insights from First-Principles Molecular Dynamics Simulations under an Electric Field J. Phys. Chem. B 2008, 112, 11586-11594
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 11586-11594
-
-
Choe, Y.-K.1
Tsuchida, E.2
Ikeshoji, T.3
Yamakawa, S.4
Hyodo, S.-A.5
-
33
-
-
84962376519
-
Unusual "amphiphilic" Association of Hydrated Protons in Strong Acid Solution
-
Wang, F.; Izvekov, S.; Voth, G. A. Unusual "Amphiphilic" Association of Hydrated Protons in Strong Acid Solution J. Am. Chem. Soc. 2008, 130, 3120-3126
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 3120-3126
-
-
Wang, F.1
Izvekov, S.2
Voth, G.A.3
-
34
-
-
34247357845
-
First-Principles Molecular Dynamics Study on Aqueous Sulfuric Acid Solutions
-
Choe, Y.-K.; Tsuchida, E.; Ikeshoji, T. First-Principles Molecular Dynamics Study on Aqueous Sulfuric Acid Solutions J. Chem. Phys. 2007, 126, 154510
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 154510
-
-
Choe, Y.-K.1
Tsuchida, E.2
Ikeshoji, T.3
-
35
-
-
0037305448
-
Reliable Potential for Small Sulfuric Acid-Water Clusters
-
Ding, C.-G.; Taskila, T.; Laasonen, K.; Laaksonen, A. Reliable Potential for Small Sulfuric Acid-Water Clusters Chem. Phys. 2003, 287, 7-19
-
(2003)
Chem. Phys.
, vol.287
, pp. 7-19
-
-
Ding, C.-G.1
Taskila, T.2
Laasonen, K.3
Laaksonen, A.4
-
36
-
-
84861671626
-
Mesoscale Simulation of Proton Transport in Proton Exchange Membranes
-
Jorn, R.; Voth, G. A. Mesoscale Simulation of Proton Transport in Proton Exchange Membranes J. Phys. Chem. C 2012, 116, 10476-10489
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 10476-10489
-
-
Jorn, R.1
Voth, G.A.2
-
37
-
-
33845551710
-
Hydration and Mobility of Ions in Solution
-
Impey, R. W.; Madden, P. A.; McDonald, I. R. Hydration and Mobility of Ions in Solution J. Phys. Chem. 1983, 87, 5071-5083
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 5071-5083
-
-
Impey, R.W.1
Madden, P.A.2
McDonald, I.R.3
-
38
-
-
84892689998
-
Chloride Enhances Fluoride Mobility in Anion Exchange Membrane/Polycationic Systems
-
Tse, Y.-L. S.; Sarode, H. N.; Lindberg, G. E.; Witten, T. A.; Yang, Y.; Herring, A. M.; Voth, G. A. Chloride Enhances Fluoride Mobility in Anion Exchange Membrane/Polycationic Systems J. Phys. Chem. C 2013, 118, 845-853
-
(2013)
J. Phys. Chem. C
, vol.118
, pp. 845-853
-
-
Tse, Y.-L.S.1
Sarode, H.N.2
Lindberg, G.E.3
Witten, T.A.4
Yang, Y.5
Herring, A.M.6
Voth, G.A.7
-
39
-
-
84893818971
-
Insights into the Transport of Aqueous Quaternary Ammonium Cations: A Combined Experimental and Computational Study
-
Sarode, H. N.; Lindberg, G. E.; Yang, Y.; Felberg, L. E.; Voth, G. A.; Herring, A. M. Insights into the Transport of Aqueous Quaternary Ammonium Cations: A Combined Experimental and Computational Study J. Phys. Chem. B 2014, 118, 1363-1372
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 1363-1372
-
-
Sarode, H.N.1
Lindberg, G.E.2
Yang, Y.3
Felberg, L.E.4
Voth, G.A.5
Herring, A.M.6
-
40
-
-
15744389376
-
Thermodynamics and Proton Transport in Nafion: II. Proton Diffusion Mechanisms and Conductivity
-
Choi, P.; Jalani, N. H.; Datta, R. Thermodynamics and Proton Transport in Nafion: II. Proton Diffusion Mechanisms and Conductivity J. Electrochem. Soc. 2005, 152, E123-E130
-
(2005)
J. Electrochem. Soc.
, vol.152
-
-
Choi, P.1
Jalani, N.H.2
Datta, R.3
-
41
-
-
84872505336
-
Interplay between Structure and Relaxations in Perfluorosulfonic Acid Proton Conducting Membranes
-
Giffin, G. A.; Haugen, G. M.; Hamrock, S. J.; Di Noto, V. Interplay between Structure and Relaxations in Perfluorosulfonic Acid Proton Conducting Membranes J. Am. Chem. Soc. 2012, 135, 822-834
-
(2012)
J. Am. Chem. Soc.
, vol.135
, pp. 822-834
-
-
Giffin, G.A.1
Haugen, G.M.2
Hamrock, S.J.3
Di Noto, V.4
|