Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight

Borges, Daiane Damasceno; Devautour‐Vinot, Sabine; Jobic, Hervé; Ollivier, Jacques; Nouar, Farid; Semino, Rocio; Devic, Thomas; Serre, Christian; Paesani, Francesco; Maurin, Guillaume

doi:10.1002/anie.201510855

Title: Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight

Abstract

Abstract The water stable UiO‐66(Zr)‐(CO ₂ H) ₂ MOF exhibits a superprotonic conductivity of 2.3×10 ⁻³ S cm ⁻¹ at 90 °C and 95 % relative humidity. Quasi‐elastic neutron scattering measurements combined with aMS‐EVB3 molecular dynamics simulations were able to probe individually the dynamics of both confined protons and water molecules and to further reveal that the proton transport is assisted by the formation of a hydrogen‐bonded water network that spans from the tetrahedral to the octahedral cages of this MOF. This is the first joint experimental/modeling study that unambiguously elucidates the proton‐conduction mechanism at the molecular level in a highly conductive MOF.

Authors:

Borges, Daiane Damasceno ^[1];

^[1]; Jobic, Hervé ^[2]; Ollivier, Jacques ^[3]; Nouar, Farid ^[4]; Semino, Rocio ^[1]; Devic, Thomas ^[4]; Serre, Christian ^[4]; Paesani, Francesco ^[5]; Maurin, Guillaume ^[1]

Institut Charles Gerhardt Montpellier UMR 5253 CNRS UM ENSCM Université Montpellier Pl. E. Bataillon 34095 Montpellier cedex 05 France
Institut de Recherches sur la Catalyse et l'Environnement de Lyon CNRS Université de Lyon 2. Av. A. Einstein 69626 Villeurbanne France
Institut Laue Langevin, BP 156 38042 Grenoble France
Institut Lavoisier Versailles, UMR 8180 CNRS Université de Versailles 45 Av. des Etats-Unis 78035 Versailles, cedex France
Department of Chemistry and Biochemistry University of California, San Diego La Jolla CA 92093 USA

Publication Date:: Wed Feb 17 00:00:00 EST 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1400548

Grant/Contract Number:: FG02-13ER16387; SC0010400

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Angewandte Chemie (International Edition)

Additional Journal Information:: Journal Name: Angewandte Chemie (International Edition) Journal Volume: 55 Journal Issue: 12; Journal ID: ISSN 1433-7851

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Borges, Daiane Damasceno, Devautour‐Vinot, Sabine, Jobic, Hervé, Ollivier, Jacques, Nouar, Farid, Semino, Rocio, Devic, Thomas, Serre, Christian, Paesani, Francesco, and Maurin, Guillaume. Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight.  Germany: N. p., 2016. 
Web.  doi:10.1002/anie.201510855.

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                    Borges, Daiane Damasceno, Devautour‐Vinot, Sabine, Jobic, Hervé, Ollivier, Jacques, Nouar, Farid, Semino, Rocio, Devic, Thomas, Serre, Christian, Paesani, Francesco, & Maurin, Guillaume. Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight.  Germany.  https://doi.org/10.1002/anie.201510855

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                    Borges, Daiane Damasceno, Devautour‐Vinot, Sabine, Jobic, Hervé, Ollivier, Jacques, Nouar, Farid, Semino, Rocio, Devic, Thomas, Serre, Christian, Paesani, Francesco, and Maurin, Guillaume. Wed .  
"Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight".  Germany.  https://doi.org/10.1002/anie.201510855.

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@article{osti_1400548,

  title        = {Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight},

  author       = {Borges, Daiane Damasceno and Devautour‐Vinot, Sabine and Jobic, Hervé and Ollivier, Jacques and Nouar, Farid and Semino, Rocio and Devic, Thomas and Serre, Christian and Paesani, Francesco and Maurin, Guillaume},

  abstractNote = {Abstract The water stable UiO‐66(Zr)‐(CO 2 H) 2 MOF exhibits a superprotonic conductivity of 2.3×10 −3  S cm −1 at 90 °C and 95 % relative humidity. Quasi‐elastic neutron scattering measurements combined with aMS‐EVB3 molecular dynamics simulations were able to probe individually the dynamics of both confined protons and water molecules and to further reveal that the proton transport is assisted by the formation of a hydrogen‐bonded water network that spans from the tetrahedral to the octahedral cages of this MOF. This is the first joint experimental/modeling study that unambiguously elucidates the proton‐conduction mechanism at the molecular level in a highly conductive MOF.},

  doi          = {10.1002/anie.201510855},

  journal      = {Angewandte Chemie (International Edition)},

  number       = 12,

  volume       = 55,

  place        = {Germany},

  year         = {Wed Feb 17 00:00:00 EST 2016},

  month        = {Wed Feb 17 00:00:00 EST 2016}

}

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Works referenced in this record:

Review of Advanced Materials for Proton Exchange Membrane Fuel Cells
journal, November 2014

Kraytsberg, Alexander; Ein-Eli, Yair
Energy & Fuels, Vol. 28, Issue 12
DOI: 10.1021/ef501977k

A Water Stable Metal-Organic Framework with Optimal Features for CO ₂ Capture
journal, June 2013

Yang, Qingyuan; Vaesen, Sébastien; Ragon, Florence
Angewandte Chemie International Edition, Vol. 52, Issue 39
DOI: 10.1002/anie.201302682

Concerted Hydrogen-Bond Dynamics in the Transport Mechanism of the Hydrated Proton: A First-Principles Molecular Dynamics Study
journal, November 2009

Berkelbach, Timothy C.; Lee, Hee-Seung; Tuckerman, Mark E.
Physical Review Letters, Vol. 103, Issue 23
DOI: 10.1103/PhysRevLett.103.238302

Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal–Organic Frameworks
journal, March 2012

Sadakiyo, Masaaki; O̅kawa, Hisashi; Shigematsu, Akihito
Journal of the American Chemical Society, Vol. 134, Issue 12
DOI: 10.1021/ja300122r

Proton Transfer, Acid-Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES
journal, January 1964

Eigen, M.
Angewandte Chemie International Edition in English, Vol. 3, Issue 1
DOI: 10.1002/anie.196400011

Correlation between coordinated water content and proton conductivity in Ca–BTC-based metal–organic frameworks
journal, January 2012

Mallick, Arijit; Kundu, Tanay; Banerjee, Rahul
Chemical Communications, Vol. 48, Issue 70
DOI: 10.1039/c2cc34006b

Vehicle Mechanism, A New Model for the Interpretation of the Conductivity of Fast Proton Conductors
journal, March 1982

Kreuer, Klaus-Dieter; Rabenau, Albrecht; Weppner, Werner
Angewandte Chemie International Edition in English, Vol. 21, Issue 3
DOI: 10.1002/anie.198202082

Hydronium dynamics in the perchloric acid clathrate hydrate
journal, December 2013

Desmedt, Arnaud; Lechner, Ruep E.; Lassegues, Jean-Claude
Solid State Ionics, Vol. 252
DOI: 10.1016/j.ssi.2013.06.004

Vehikel-Mechanismus, ein neues Modell zur Deutung der Leitfähigkeit schneller Protonenleiter
journal, March 1982

Kreuer, Klaus-Dieter; Rabenau, Albrecht; Weppner, Werner
Angewandte Chemie, Vol. 94, Issue 3
DOI: 10.1002/ange.19820940335

Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites
journal, May 2007

Jobic, Hervé; Theodorou, Doros N.
Microporous and Mesoporous Materials, Vol. 102, Issue 1-3
DOI: 10.1016/j.micromeso.2006.12.034

Excess protons in water-acetone mixtures
journal, May 2012

Semino, Rocío; Laria, Daniel
The Journal of Chemical Physics, Vol. 136, Issue 19
DOI: 10.1063/1.4717712

Ion Conductivity and Transport by Porous Coordination Polymers and Metal–Organic Frameworks
journal, June 2013

Horike, Satoshi; Umeyama, Daiki; Kitagawa, Susumu
Accounts of Chemical Research, Vol. 46, Issue 11
DOI: 10.1021/ar300291s

One-dimensional imidazole aggregate in aluminium porous coordination polymers with high proton conductivity
journal, September 2009

Bureekaew, Sareeya; Horike, Satoshi; Higuchi, Masakazu
Nature Materials, Vol. 8, Issue 10
DOI: 10.1038/nmat2526

Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations
journal, May 2007

Swanson, Jessica M. J.; Maupin, C. Mark; Chen, Hanning
The Journal of Physical Chemistry B, Vol. 111, Issue 17
DOI: 10.1021/jp070104x

Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density
journal, July 1998

Jorgensen, William L.; Jenson, Corky
Journal of Computational Chemistry, Vol. 19, Issue 10
DOI: 10.1002/(SICI)1096-987X(19980730)19:10<1179::AID-JCC6>3.0.CO;2-J

A second generation multistate empirical valence bond model for proton transport in aqueous systems
journal, September 2002

Day, Tyler J. F.; Soudackov, Alexander V.; Čuma, Martin
The Journal of Chemical Physics, Vol. 117, Issue 12
DOI: 10.1063/1.1497157

A Refined MS-EVB Model for Proton Transport in Aqueous Environments
journal, December 2011

Park, Kyoyeon; Lin, Wei; Paesani, Francesco
The Journal of Physical Chemistry B, Vol. 116, Issue 1
DOI: 10.1021/jp208946p

Superprotonic Conductivity of a UiO-66 Framework Functionalized with Sulfonic Acid Groups by Facile Postsynthetic Oxidation
journal, February 2015

Phang, Won Ju; Jo, Hyuna; Lee, Woo Ram
Angewandte Chemie, Vol. 127, Issue 17
DOI: 10.1002/ange.201411703

Proton dynamics of two-dimensional oxalate-bridged coordination polymers
journal, January 2014

Miyatsu, Satoshi; Kofu, Maiko; Nagoe, Atsushi
Phys. Chem. Chem. Phys., Vol. 16, Issue 32
DOI: 10.1039/C4CP01432D

A Water-Stable Metal–Organic Framework with Highly Acidic Pores for Proton-Conducting Applications
journal, January 2013

Taylor, Jared M.; Dawson, Karl W.; Shimizu, George K. H.
Journal of the American Chemical Society, Vol. 135, Issue 4
DOI: 10.1021/ja310435e

Proton Diffusion in the Hexafluorophosphoric Acid Clathrate Hydrate
journal, June 2014

Bedouret, Laura; Judeinstein, Patrick; Ollivier, Jacques
The Journal of Physical Chemistry B, Vol. 118, Issue 47
DOI: 10.1021/jp504128m

An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport ^†
journal, January 2008

Wu, Yujie; Chen, Hanning; Wang, Feng
The Journal of Physical Chemistry B, Vol. 112, Issue 2
DOI: 10.1021/jp076658h

A Water Stable Magnesium MOF That Conducts Protons over 10 ^–2 S cm ^–1
journal, June 2015

Ramaswamy, Padmini; Wong, Norman E.; Gelfand, Benjamin S.
Journal of the American Chemical Society, Vol. 137, Issue 24
DOI: 10.1021/jacs.5b04399

Simultaneous Measurement of Self- and Transport Diffusivities in Zeolites
journal, May 1999

Jobic, H.; Kärger, J.; Bée, M.
Physical Review Letters, Vol. 82, Issue 21
DOI: 10.1103/PhysRevLett.82.4260

Protonenleitung in Metall-organischen Gerüsten und verwandten modularen porösen Festkörpern
journal, January 2013

Yoon, Minyoung; Suh, Kyungwon; Natarajan, Srinivasan
Angewandte Chemie, Vol. 125, Issue 10
DOI: 10.1002/ange.201206410

Pressure and temperature dependence of self-diffusion in water
journal, January 1978

Krynicki, Kazimierz; Green, Christopher D.; Sawyer, David W.
Faraday Discussions of the Chemical Society, Vol. 66
DOI: 10.1039/dc9786600199

MOFs as proton conductors – challenges and opportunities
journal, January 2014

Ramaswamy, Padmini; Wong, Norman E.; Shimizu, George K. H.
Chem. Soc. Rev., Vol. 43, Issue 16
DOI: 10.1039/C4CS00093E

Experimental Evidence Supported by Simulations of a Very High $H_{2}$ Diffusion in Metal Organic Framework Materials
journal, June 2008

Salles, F.; Jobic, H.; Maurin, G.
Physical Review Letters, Vol. 100, Issue 24
DOI: 10.1103/PhysRevLett.100.245901

DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
journal, June 1996

Smith, W.; Forester, T. R.
Journal of Molecular Graphics, Vol. 14, Issue 3, p. 136-141
DOI: 10.1016/S0263-7855(96)00043-4

A Water Stable Metal-Organic Framework with Optimal Features for CO ₂ Capture
journal, June 2013

Yang, Qingyuan; Vaesen, Sébastien; Ragon, Florence
Angewandte Chemie, Vol. 125, Issue 39
DOI: 10.1002/ange.201302682

Incoherent neutron scattering study of protonic conductors
journal, June 1992

Lassègues, J. -C.; Cavagnat, D.
Physica B: Condensed Matter, Vol. 180-181
DOI: 10.1016/0921-4526(92)90422-O

Protonenübertragung, Säure-Base-Katalyse und enzymatische Hydrolyse. Teil I: Elementarvorgänge
journal, June 1963

Eigen, M.
Angewandte Chemie, Vol. 75, Issue 12
DOI: 10.1002/ange.19630751202

Designer coordination polymers: dimensional crossover architectures and proton conduction
journal, January 2013

Yamada, Teppei; Otsubo, Kazuya; Makiura, Rie
Chemical Society Reviews, Vol. 42, Issue 16
DOI: 10.1039/c3cs60028a

Proton and deuteron mobility in normal and heavy water solutions of electrolytes
journal, January 1974

Roberts, Noel K.; Northey, Helen L.
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 70, Issue 0
DOI: 10.1039/f19747000253

The computer simulation of proton transport in water
journal, November 1999

Schmitt, Udo W.; Voth, Gregory A.
The Journal of Chemical Physics, Vol. 111, Issue 20
DOI: 10.1063/1.480032

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering
journal, January 2015

Karlsson, Maths
Physical Chemistry Chemical Physics, Vol. 17, Issue 1
DOI: 10.1039/C4CP04112G

Proton dynamics in the perchloric acid clathrate hydrate HClO4⋅5.5H2O
journal, December 2004

Desmedt, Arnaud; Stallmach, Frank; Lechner, Ruep E.
The Journal of Chemical Physics, Vol. 121, Issue 23
DOI: 10.1063/1.1819863

Connecting Solvation Shell Structure to Proton Transport Kinetics in Hydrogen–Bonded Networks via Population Correlation Functions
journal, October 2007

Chandra, Amalendu; Tuckerman, Mark E.; Marx, Dominik
Physical Review Letters, Vol. 99, Issue 14
DOI: 10.1103/PhysRevLett.99.145901

Superprotonic Conductivity of a UiO-66 Framework Functionalized with Sulfonic Acid Groups by Facile Postsynthetic Oxidation
journal, February 2015

Phang, Won Ju; Jo, Hyuna; Lee, Woo Ram
Angewandte Chemie International Edition, Vol. 54, Issue 17
DOI: 10.1002/anie.201411703

Proton Conduction in Metal-Organic Frameworks and Related Modularly Built Porous Solids
journal, January 2013

Yoon, Minyoung; Suh, Kyungwon; Natarajan, Srinivasan
Angewandte Chemie International Edition, Vol. 52, Issue 10
DOI: 10.1002/anie.201206410

Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments
journal, January 2013

Pantatosaki, Evangelia; Jobic, Hervé; Kolokolov, Daniil I.
The Journal of Chemical Physics, Vol. 138, Issue 3
DOI: 10.1063/1.4774375

QENS investigation of proton confined motions in hydrated perfluorinated sulfonic membranes and self-assembled surfactants
journal, January 2015

Berrod, Quentin; Lyonnard, Sandrine; Guillermo, Armel
EPJ Web of Conferences, Vol. 83
DOI: 10.1051/epjconf/20158302002

Order-to-disorder structural transformation of a coordination polymer and its influence on proton conduction
journal, January 2014

Horike, Satoshi; Chen, Wenqian; Itakura, Tomoya
Chem. Commun., Vol. 50, Issue 71
DOI: 10.1039/C4CC04370G

Imparting High Proton Conductivity to a Metal–Organic Framework Material by Controlled Acid Impregnation
journal, September 2012

Ponomareva, Valentina G.; Kovalenko, Konstantin A.; Chupakhin, Alexei P.
Journal of the American Chemical Society, Vol. 134, Issue 38
DOI: 10.1021/ja305587n

Molecular Mechanisms of Water-Mediated Proton Transport in MIL-53 Metal–Organic Frameworks
journal, September 2013

Paesani, Francesco
The Journal of Physical Chemistry C, Vol. 117, Issue 38
DOI: 10.1021/jp406163q

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Title: Proton Transport in a Highly Conductive Porous Zirconium‐Based Metal–Organic Framework: Molecular Insight

Abstract

Citation Formats

Review of Advanced Materials for Proton Exchange Membrane Fuel Cells journal, November 2014

A Water Stable Metal-Organic Framework with Optimal Features for CO 2 Capture journal, June 2013

Concerted Hydrogen-Bond Dynamics in the Transport Mechanism of the Hydrated Proton: A First-Principles Molecular Dynamics Study journal, November 2009

Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal–Organic Frameworks journal, March 2012

Proton Transfer, Acid-Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES journal, January 1964

Correlation between coordinated water content and proton conductivity in Ca–BTC-based metal–organic frameworks journal, January 2012

Vehicle Mechanism, A New Model for the Interpretation of the Conductivity of Fast Proton Conductors journal, March 1982

Hydronium dynamics in the perchloric acid clathrate hydrate journal, December 2013

Vehikel-Mechanismus, ein neues Modell zur Deutung der Leitfähigkeit schneller Protonenleiter journal, March 1982

Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites journal, May 2007

Excess protons in water-acetone mixtures journal, May 2012

Ion Conductivity and Transport by Porous Coordination Polymers and Metal–Organic Frameworks journal, June 2013

One-dimensional imidazole aggregate in aluminium porous coordination polymers with high proton conductivity journal, September 2009

Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations journal, May 2007

Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density journal, July 1998

A second generation multistate empirical valence bond model for proton transport in aqueous systems journal, September 2002

A Refined MS-EVB Model for Proton Transport in Aqueous Environments journal, December 2011

Superprotonic Conductivity of a UiO-66 Framework Functionalized with Sulfonic Acid Groups by Facile Postsynthetic Oxidation journal, February 2015

Proton dynamics of two-dimensional oxalate-bridged coordination polymers journal, January 2014

A Water-Stable Metal–Organic Framework with Highly Acidic Pores for Proton-Conducting Applications journal, January 2013

Proton Diffusion in the Hexafluorophosphoric Acid Clathrate Hydrate journal, June 2014

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A Water Stable Magnesium MOF That Conducts Protons over 10 –2 S cm –1 journal, June 2015

Simultaneous Measurement of Self- and Transport Diffusivities in Zeolites journal, May 1999

Protonenleitung in Metall-organischen Gerüsten und verwandten modularen porösen Festkörpern journal, January 2013

Pressure and temperature dependence of self-diffusion in water journal, January 1978

MOFs as proton conductors – challenges and opportunities journal, January 2014

Experimental Evidence Supported by Simulations of a Very High H 2 Diffusion in Metal Organic Framework Materials journal, June 2008

DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package journal, June 1996

A Water Stable Metal-Organic Framework with Optimal Features for CO 2 Capture journal, June 2013

Incoherent neutron scattering study of protonic conductors journal, June 1992

Protonenübertragung, Säure-Base-Katalyse und enzymatische Hydrolyse. Teil I: Elementarvorgänge journal, June 1963

Designer coordination polymers: dimensional crossover architectures and proton conduction journal, January 2013

Proton and deuteron mobility in normal and heavy water solutions of electrolytes journal, January 1974

The computer simulation of proton transport in water journal, November 1999

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering journal, January 2015

Proton dynamics in the perchloric acid clathrate hydrate HClO4⋅5.5H2O journal, December 2004

Connecting Solvation Shell Structure to Proton Transport Kinetics in Hydrogen–Bonded Networks via Population Correlation Functions journal, October 2007

Superprotonic Conductivity of a UiO-66 Framework Functionalized with Sulfonic Acid Groups by Facile Postsynthetic Oxidation journal, February 2015

Proton Conduction in Metal-Organic Frameworks and Related Modularly Built Porous Solids journal, January 2013

Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments journal, January 2013

QENS investigation of proton confined motions in hydrated perfluorinated sulfonic membranes and self-assembled surfactants journal, January 2015

Order-to-disorder structural transformation of a coordination polymer and its influence on proton conduction journal, January 2014

Imparting High Proton Conductivity to a Metal–Organic Framework Material by Controlled Acid Impregnation journal, September 2012

Molecular Mechanisms of Water-Mediated Proton Transport in MIL-53 Metal–Organic Frameworks journal, September 2013

Review of Advanced Materials for Proton Exchange Membrane Fuel Cells
journal, November 2014

A Water Stable Metal-Organic Framework with Optimal Features for CO ₂ Capture
journal, June 2013

Concerted Hydrogen-Bond Dynamics in the Transport Mechanism of the Hydrated Proton: A First-Principles Molecular Dynamics Study
journal, November 2009

Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal–Organic Frameworks
journal, March 2012

Proton Transfer, Acid-Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES
journal, January 1964

Correlation between coordinated water content and proton conductivity in Ca–BTC-based metal–organic frameworks
journal, January 2012

Vehicle Mechanism, A New Model for the Interpretation of the Conductivity of Fast Proton Conductors
journal, March 1982

Hydronium dynamics in the perchloric acid clathrate hydrate
journal, December 2013

Vehikel-Mechanismus, ein neues Modell zur Deutung der Leitfähigkeit schneller Protonenleiter
journal, March 1982

Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites
journal, May 2007

Excess protons in water-acetone mixtures
journal, May 2012

Ion Conductivity and Transport by Porous Coordination Polymers and Metal–Organic Frameworks
journal, June 2013

One-dimensional imidazole aggregate in aluminium porous coordination polymers with high proton conductivity
journal, September 2009

Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations
journal, May 2007

Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density
journal, July 1998

A second generation multistate empirical valence bond model for proton transport in aqueous systems
journal, September 2002

A Refined MS-EVB Model for Proton Transport in Aqueous Environments
journal, December 2011

Superprotonic Conductivity of a UiO-66 Framework Functionalized with Sulfonic Acid Groups by Facile Postsynthetic Oxidation
journal, February 2015

Proton dynamics of two-dimensional oxalate-bridged coordination polymers
journal, January 2014

A Water-Stable Metal–Organic Framework with Highly Acidic Pores for Proton-Conducting Applications
journal, January 2013

Proton Diffusion in the Hexafluorophosphoric Acid Clathrate Hydrate
journal, June 2014

An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport ^†
journal, January 2008

A Water Stable Magnesium MOF That Conducts Protons over 10 ^–2 S cm ^–1
journal, June 2015

Simultaneous Measurement of Self- and Transport Diffusivities in Zeolites
journal, May 1999

Protonenleitung in Metall-organischen Gerüsten und verwandten modularen porösen Festkörpern
journal, January 2013

Pressure and temperature dependence of self-diffusion in water
journal, January 1978

MOFs as proton conductors – challenges and opportunities
journal, January 2014

Experimental Evidence Supported by Simulations of a Very High $H_{2}$ Diffusion in Metal Organic Framework Materials
journal, June 2008

DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
journal, June 1996

A Water Stable Metal-Organic Framework with Optimal Features for CO ₂ Capture
journal, June 2013

Incoherent neutron scattering study of protonic conductors
journal, June 1992

Protonenübertragung, Säure-Base-Katalyse und enzymatische Hydrolyse. Teil I: Elementarvorgänge
journal, June 1963

Designer coordination polymers: dimensional crossover architectures and proton conduction
journal, January 2013

Proton and deuteron mobility in normal and heavy water solutions of electrolytes
journal, January 1974

The computer simulation of proton transport in water
journal, November 1999

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering
journal, January 2015

Proton dynamics in the perchloric acid clathrate hydrate HClO4⋅5.5H2O
journal, December 2004

Connecting Solvation Shell Structure to Proton Transport Kinetics in Hydrogen–Bonded Networks via Population Correlation Functions
journal, October 2007

Superprotonic Conductivity of a UiO-66 Framework Functionalized with Sulfonic Acid Groups by Facile Postsynthetic Oxidation
journal, February 2015

Proton Conduction in Metal-Organic Frameworks and Related Modularly Built Porous Solids
journal, January 2013

Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments
journal, January 2013

QENS investigation of proton confined motions in hydrated perfluorinated sulfonic membranes and self-assembled surfactants
journal, January 2015

Order-to-disorder structural transformation of a coordination polymer and its influence on proton conduction
journal, January 2014

Imparting High Proton Conductivity to a Metal–Organic Framework Material by Controlled Acid Impregnation
journal, September 2012

Molecular Mechanisms of Water-Mediated Proton Transport in MIL-53 Metal–Organic Frameworks
journal, September 2013