How to Chemically Tailor Metal-Porphyrin-Like Active Sites on Carbon Nanotubes and Graphene for Minimal Overpotential in the Electrochemical Oxygen Evolution and Oxygen Reduction Reactions

Cheng, Mu-Jeng; Head-Gordon, Martin; Bell, Alexis T.

doi:10.1021/jp507638v

Title: How to Chemically Tailor Metal-Porphyrin-Like Active Sites on Carbon Nanotubes and Graphene for Minimal Overpotential in the Electrochemical Oxygen Evolution and Oxygen Reduction Reactions

Journal Article · Mon Dec 15 00:00:00 EST 2014 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/jp507638v· OSTI ID:1511413

Cheng, Mu-Jeng ^[1]; Head-Gordon, Martin ^[1]; Bell, Alexis T. ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

Density functional theory calculations are used to study the energetics of the electrochemical oxygen evolution reaction (OER) of water and the reverse oxygen reduction reaction (ORR) on metal-porphyrin-like centers incorporated into graphene layers or single-walled carbon nanotubes (SWCNTs). The objective is to explore the reductions in computational thermodynamic overpotential that can be achieved relative to catalysis on metal oxide surfaces (OER) or platinum (ORR) by varying the metal center and axial ligand. This permits a degree of simultaneous control over the free energy gap between the lowest energy OH and highest energy OOH intermediates, and the position of the oxo (O) intermediate in this gap. Optimal choice of metal toward the right of the first transition series largely controls the gap. Given a suitable metal such as Fe, the overpotential for OER can be tuned over a range greater than 0.35 V by choice of the axial ligand. For OER occurring within the SWCNTs, a minimum predicted overpotential of 0.35 V is found, very close to the gap-imposed limit of 0.30 V for this system. Similarly, the overpotential of ORR can be tuned over a range more than 0.30 V by selection of the axial ligand. While the calculations necessarily have limited accuracy, the principles should provide a transferable path toward overpotential optimization for the OER and ORR.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-05CH11231

OSTI ID:: 1511413

Journal Information:: Journal of Physical Chemistry. C, Vol. 118, Issue 51; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (84)

Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds Cook, Timothy R.; Dogutan, Dilek K.; Reece, Steven Y. Chemical Reviews, Vol. 110, Issue 11 https://doi.org/10.1021/cr100246c	journal	November 2010
Solar Water Splitting Cells Walter, Michael G.; Warren, Emily L.; McKone, James R. Chemical Reviews, Vol. 110, Issue 11, p. 6446-6473 https://doi.org/10.1021/cr1002326	journal	November 2010
Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction McCrory, Charles C. L.; Jung, Suho; Peters, Jonas C. Journal of the American Chemical Society, Vol. 135, Issue 45 https://doi.org/10.1021/ja407115p	journal	October 2013
Materials for fuel-cell technologies Steele, Brian C. H.; Heinzel, Angelika Nature, Vol. 414, Issue 6861, p. 345-352 https://doi.org/10.1038/35104620	journal	November 2001
Just a Dream—or Future Reality? Gasteiger, Hubert A.; Marković, Nenad M Science, Vol. 324, Issue 5923, p. 48-49 https://doi.org/10.1126/science.1172083	journal	April 2009
Activity benchmarks and requirements for Pt, Pt-alloy, and non-Pt oxygen reduction catalysts for PEMFCs Gasteiger, Hubert A.; Kocha, Shyam S.; Sompalli, Bhaskar Applied Catalysis B: Environmental, Vol. 56, Issue 1-2, p. 9-35 https://doi.org/10.1016/j.apcatb.2004.06.021	journal	March 2005
Oxygen Evolution by Oxidation of Water with Manganese Porphyrin Dimers Naruta, Yoshinori; Sasayama, Masa-aki; Sasaki, Takao Angewandte Chemie International Edition in English, Vol. 33, Issue 18 https://doi.org/10.1002/anie.199418391	journal	September 1994
Nucleophilic Attack of Hydroxide on a Mn ^V Oxo Complex: A Model of the O−O Bond Formation in the Oxygen Evolving Complex of Photosystem II Gao, Yan; Åkermark, Torbjörn; Liu, Jianhui Journal of the American Chemical Society, Vol. 131, Issue 25 https://doi.org/10.1021/ja901139r	journal	July 2009
Electocatalytic Water Oxidation by Cobalt(III) Hangman β-Octafluoro Corroles Dogutan, Dilek K.; McGuire, Robert; Nocera, Daniel G. Journal of the American Chemical Society, Vol. 133, Issue 24 https://doi.org/10.1021/ja202138m	journal	June 2011
Cobalt porphyrins as homogeneous catalysts for water oxidation Nakazono, Takashi; Parent, Alexander Rene; Sakai, Ken Chemical Communications, Vol. 49, Issue 56 https://doi.org/10.1039/c3cc43031f	journal	January 2013
Efficient water oxidation catalyzed by homogeneous cationic cobalt porphyrins with critical roles for the buffer base Wang, D.; Groves, J. T. Proceedings of the National Academy of Sciences, Vol. 110, Issue 39 https://doi.org/10.1073/pnas.1315383110	journal	September 2013
Molecular Electrocatalysis for Oxygen Reduction by Cobalt Porphyrins Adsorbed at Liquid/Liquid Interfaces Su, Bin; Hatay, Imren; Trojánek, Antonín Journal of the American Chemical Society, Vol. 132, Issue 8 https://doi.org/10.1021/ja908488s	journal	February 2010
Distant protonated pyridine groups in water-soluble iron porphyrin electrocatalysts promote selective oxygen reduction to water Matson, Benjamin D.; Carver, Colin T.; Von Ruden, Amber Chemical Communications, Vol. 48, Issue 90 https://doi.org/10.1039/c2cc35576k	journal	January 2012
Highly Efficient Oxidation of Water by a Molecular Catalyst Immobilized on Carbon Nanotubes Li, Fei; Zhang, Biaobiao; Li, Xiaona Angewandte Chemie International Edition, Vol. 50, Issue 51 https://doi.org/10.1002/anie.201105044	journal	October 2011
Dendron-functionalized multiwalled carbon nanotubes incorporating polyoxometalates for water-splitting catalysis Toma, Francesca Maria; Sartorel, Andrea; Carraro, Mauro Pure and Applied Chemistry, Vol. 83, Issue 8 https://doi.org/10.1351/PAC-CON-10-11-12	journal	May 2011
Tailored Functionalization of Carbon Nanotubes for Electrocatalytic Water Splitting and Sustainable Energy Applications Toma, Francesca Maria; Sartorel, Andrea; Iurlo, Matteo ChemSusChem, Vol. 4, Issue 10 https://doi.org/10.1002/cssc.201100089	journal	July 2011
Efficient water oxidation at carbon nanotube–polyoxometalate electrocatalytic interfaces Toma, Francesca M.; Sartorel, Andrea; Iurlo, Matteo Nature Chemistry, Vol. 2, Issue 10 https://doi.org/10.1038/nchem.761	journal	August 2010
Catalytic activity of cobalt and iron phthalocyanines or porphyrins supported on different carbon nanotubes towards oxygen reduction reaction Morozan, Adina; Campidelli, Stéphane; Filoramo, Arianna Carbon, Vol. 49, Issue 14 https://doi.org/10.1016/j.carbon.2011.07.004	journal	November 2011
Oxygen reduction on graphene-supported MN4 macrocycles in alkaline media Kruusenberg, Ivar; Mondal, Jayanta; Matisen, Leonard Electrochemistry Communications, Vol. 33 https://doi.org/10.1016/j.elecom.2013.04.005	journal	August 2013
Electrocatalytic Oxidation of Glucose by Rhodium Porphyrin-Functionalized MWCNT Electrodes: Application to a Fully Molecular Catalyst-Based Glucose/O ₂ Fuel Cell Elouarzaki, Kamal; Le Goff, Alan; Holzinger, Michael Journal of the American Chemical Society, Vol. 134, Issue 34 https://doi.org/10.1021/ja304589m	journal	August 2012
Oxygen Reduction Catalysts for Polymer Electrolyte Fuel Cells from the Pyrolysis of Iron Acetate Adsorbed on Various Carbon Supports Jaouen, Frédéric; Marcotte, Sébastien; Dodelet, Jean-Pol The Journal of Physical Chemistry B, Vol. 107, Issue 6, p. 1376-1386 https://doi.org/10.1021/jp021634q	journal	February 2003
Molecular Oxygen Reduction in PEM Fuel Cell Conditions: ToF-SIMS Analysis of Co-Based Electrocatalysts Lefèvre, M.; Dodelet, J. P.; Bertrand, P. The Journal of Physical Chemistry B, Vol. 109, Issue 35, p. 16718-16724 https://doi.org/10.1021/jp0529265	journal	September 2005
Molecular Oxygen Reduction in PEM Fuel Cells: Evidence for the Simultaneous Presence of Two Active Sites in Fe-Based Catalysts Lefèvre, M.; Dodelet, J. P.; Bertrand, P. The Journal of Physical Chemistry B, Vol. 106, Issue 34, p. 8705-8713 https://doi.org/10.1021/jp020267f	journal	August 2002
Iron-Based Catalysts with Improved Oxygen Reduction Activity in Polymer Electrolyte Fuel Cells Lefèvre, Michel; Proietti, Eric; Jaouen, Frédéric Science, Vol. 324, Issue 5923, p. 71-74 https://doi.org/10.1126/science.1170051	journal	April 2009
Aligned carbon nanotubes with built-in FeN ₄ active sites for electrocatalytic reduction of oxygen Yang, Junbing; Liu, Di-Jia; Kariuki, Nancy N. Chem. Commun., Issue 3 https://doi.org/10.1039/B713096A	journal	January 2008
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements Francl, Michelle M.; Pietro, William J.; Hehre, Warren J. The Journal of Chemical Physics, Vol. 77, Issue 7, p. 3654-3665 https://doi.org/10.1063/1.444267	journal	October 1982
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules Hehre, W. J.; Ditchfield, R.; Pople, J. A. The Journal of Chemical Physics, Vol. 56, Issue 5, p. 2257-2261 https://doi.org/10.1063/1.1677527	journal	March 1972
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals Hay, P. Jeffrey; Wadt, Willard R. The Journal of Chemical Physics, Vol. 82, Issue 1, p. 299-310 https://doi.org/10.1063/1.448975	journal	January 1985
A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu Ehlers, A. W.; Böhme, M.; Dapprich, S. Chemical Physics Letters, Vol. 208, Issue 1-2 https://doi.org/10.1016/0009-2614(93)80086-5	journal	June 1993
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Krishnan, R.; Binkley, J. S.; Seeger, R. The Journal of Chemical Physics, Vol. 72, Issue 1 https://doi.org/10.1063/1.438955	journal	January 1980
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F Clark, Timothy; Chandrasekhar, Jayaraman; Spitznagel, G�nther W. Journal of Computational Chemistry, Vol. 4, Issue 3 https://doi.org/10.1002/jcc.540040303	journal	October 1983
Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides García-Mota, Mónica; Bajdich, Michal; Viswanathan, Venkatasubramanian The Journal of Physical Chemistry C, Vol. 116, Issue 39 https://doi.org/10.1021/jp306303y	journal	September 2012
Oxygen Reduction Activity on Perovskite Oxide Surfaces: A Comparative First-Principles Study of LaMnO ₃ , LaFeO ₃ , and LaCrO ₃ Wang, Yan; Cheng, Hai-Ping The Journal of Physical Chemistry C, Vol. 117, Issue 5 https://doi.org/10.1021/jp309203k	journal	January 2013
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Lee, Chengteh; Yang, Weitao; Parr, Robert G. Physical Review B, Vol. 37, Issue 2 https://doi.org/10.1103/PhysRevB.37.785	journal	January 1988
Density‐functional thermochemistry. III. The role of exact exchange Becke, Axel D. The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652 https://doi.org/10.1063/1.464913	journal	April 1993
Density-functional exchange-energy approximation with correct asymptotic behavior Becke, A. D. Physical Review A, Vol. 38, Issue 6 https://doi.org/10.1103/PhysRevA.38.3098	journal	September 1988
Advances in methods and algorithms in a modern quantum chemistry program package Shao, Yihan; Molnar, Laszlo Fusti; Jung, Yousung Phys. Chem. Chem. Phys., Vol. 8, Issue 27 https://doi.org/10.1039/B517914A	journal	January 2006
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Electrolysis of water on oxide surfaces Rossmeisl, J.; Qu, Z. -W.; Zhu, H. Journal of Electroanalytical Chemistry, Vol. 607, Issue 1-2 https://doi.org/10.1016/j.jelechem.2006.11.008	journal	September 2007
Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins Calle-Vallejo, F.; Martínez, J. I.; García-Lastra, J. M. Surface Science, Vol. 607 https://doi.org/10.1016/j.susc.2012.08.005	journal	January 2013
Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions Calle-Vallejo, Federico; Martínez, José Ignacio; Rossmeisl, Jan Physical Chemistry Chemical Physics, Vol. 13, Issue 34 https://doi.org/10.1039/c1cp21228a	journal	January 2011
Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Electrolysis of water on (oxidized) metal surfaces Rossmeisl, J.; Logadottir, A.; Nørskov, J. K. Chemical Physics, Vol. 319, Issue 1-3, p. 178-184 https://doi.org/10.1016/j.chemphys.2005.05.038	journal	December 2005
The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations Tripković, Vladimir; Skúlason, Egill; Siahrostami, Samira Electrochimica Acta, Vol. 55, Issue 27 https://doi.org/10.1016/j.electacta.2010.02.056	journal	November 2010
First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111) Janik, Michael J.; Taylor, Christopher D.; Neurock, Matthew Journal of The Electrochemical Society, Vol. 156, Issue 1 https://doi.org/10.1149/1.3008005	journal	January 2009
Electrocatalytic oxygen reduction kinetics on Fe-center of nitrogen-doped graphene Sun, Jing; Fang, Ya-Hui; Liu, Zhi-Pan Phys. Chem. Chem. Phys., Vol. 16, Issue 27 https://doi.org/10.1039/C4CP00037D	journal	January 2014
Cover Picture: Recoding the Genetic Code with Selenocysteine (Angew. Chem. Int. Ed. 1/2014) Bröcker, Markus J.; Ho, Joanne M. L.; Church, George M. Angewandte Chemie International Edition, Vol. 53, Issue 1 https://doi.org/10.1002/anie.201310509	journal	December 2013
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces Man, Isabela C.; Su, Hai‐Yan; Calle‐Vallejo, Federico ChemCatChem, Vol. 3, Issue 7 https://doi.org/10.1002/cctc.201000397	journal	March 2011
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode Nørskov, J. K.; Rossmeisl, J.; Logadottir, A. The Journal of Physical Chemistry B, Vol. 108, Issue 46 https://doi.org/10.1021/jp047349j	journal	November 2004
Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water Bajdich, Michal; García-Mota, Mónica; Vojvodic, Aleksandra Journal of the American Chemical Society, Vol. 135, Issue 36 https://doi.org/10.1021/ja405997s	journal	August 2013
Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis Koper, Marc T. M. Journal of Electroanalytical Chemistry, Vol. 660, Issue 2 https://doi.org/10.1016/j.jelechem.2010.10.004	journal	September 2011
Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides Calle-Vallejo, Federico; Inoglu, Nilay G.; Su, Hai-Yan Chemical Science, Vol. 4, Issue 3 https://doi.org/10.1039/c2sc21601a	journal	January 2013
Modeling the Oxygen Evolution Reaction on Metal Oxides: The Infuence of Unrestricted DFT Calculations Mom, Rik V.; Cheng, Jun; Koper, Marc T. M. The Journal of Physical Chemistry C, Vol. 118, Issue 8 https://doi.org/10.1021/jp409373c	journal	February 2014
Redox transitions of chromium, manganese, iron, cobalt and nickel protoporphyrins in aqueous solution de Groot, Matheus T.; Koper, Marc T. M. Phys. Chem. Chem. Phys., Vol. 10, Issue 7 https://doi.org/10.1039/B714727A	journal	January 2008
Analysis of Porphyrines as Catalysts for Electrochemical Reduction of O ₂ and Oxidation of H ₂ O Baran, Jakub D.; Grönbeck, Henrik; Hellman, Anders Journal of the American Chemical Society, Vol. 136, Issue 4 https://doi.org/10.1021/ja4060299	journal	January 2014
Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The “Oxo Wall” Stands O’Halloran, Kevin P.; Zhao, Chongchao; Ando, Nicole S. Inorganic Chemistry, Vol. 51, Issue 13 https://doi.org/10.1021/ic2008914	journal	June 2012
Evidence for a terminal Pt(iv)-oxo complex exhibiting diverse reactivity Poverenov, Elena; Efremenko, Irena; Frenkel, Anatoly I. Nature, Vol. 455, Issue 7216 https://doi.org/10.1038/nature07356	journal	October 2008
High-Valent Iron(IV)–Oxo Complexes of Heme and Non-Heme Ligands in Oxygenation Reactions Nam, Wonwoo Accounts of Chemical Research, Vol. 40, Issue 7 https://doi.org/10.1021/ar700027f	journal	July 2007
A Pronounced Axial Ligand Effect on the Reactivity of Oxoiron(IV) Porphyrin Cation Radicals Gross, Zeev; Nimri, Shay Inorganic Chemistry, Vol. 33, Issue 9 https://doi.org/10.1021/ic00087a001	journal	April 1994
Oxidative Aliphatic C-H Fluorination with Fluoride Ion Catalyzed by a Manganese Porphyrin Liu, W.; Huang, X.; Cheng, M. -J. Science, Vol. 337, Issue 6100 https://doi.org/10.1126/science.1222327	journal	September 2012
Selectivity control by axial ligand modification in manganese porphyrin-catalyzed oxidations Nappa, Mario J.; McKinney, Ronald J. Inorganic Chemistry, Vol. 27, Issue 21 https://doi.org/10.1021/ic00294a014	journal	October 1988
Mechanistic insights into iron porphyrin-catalyzed olefin epoxidation by hydrogen peroxide: Factors controlling activity and selectivity Stephenson, Ned A.; Bell, Alexis T. Journal of Molecular Catalysis A: Chemical, Vol. 275, Issue 1-2 https://doi.org/10.1016/j.molcata.2007.05.005	journal	September 2007
Springloaded porphyrin NHC hybrid rhodium(iii) complexes: carbene dissociation and oxidation catalysis Olguín, Juan; Müller-Bunz, Helge; Albrecht, Martin Chemical Communications, Vol. 50, Issue 26 https://doi.org/10.1039/c4cc00497c	journal	January 2014
N-Heterocyclic carbene bonding to cobalt porphyrin complexes Albrecht, Martin; Maji, Pathik; Häusl, Christina Inorganica Chimica Acta, Vol. 380 https://doi.org/10.1016/j.ica.2011.08.039	journal	January 2012
Primary and Secondary Phosphine Complexes of Iron Porphyrins and Ruthenium Phthalocyanine: Synthesis, Structure, and P−H Bond Functionalization Huang, Jie-Sheng; Yu, Guang-Ao; Xie, Jin Inorganic Chemistry, Vol. 47, Issue 20 https://doi.org/10.1021/ic800484k	journal	September 2008
Phosphines as structural and functional probes of hemoproteins Simonneaux, Gérard Coordination Chemistry Reviews, Vol. 165 https://doi.org/10.1016/S0010-8545(97)90165-X	journal	October 1997
Tertiary phosphine complexes of iron porphyrins: synthesis, molecular stereochemistry, and crystal structure of bis(dimethylphenylphosphine)-(meso-5,10,15,20-tetraphenylporphyrinato)iron(II) Sodano, Patrick; Simonneaux, G�rard; Toupet, Lo�c Journal of the Chemical Society, Dalton Transactions, Issue 10 https://doi.org/10.1039/dt9880002615	journal	January 1988
Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces Viswanathan, Venkatasubramanian; Hansen, Heine Anton; Rossmeisl, Jan ACS Catalysis, Vol. 2, Issue 8 https://doi.org/10.1021/cs300227s	journal	July 2012
Catalytic pathways for the electroreduction of oxygen by iron tetrakis(4-N-methylpyridyl)porphyrin or iron tetraphenylporphyrin adsorbed on edge plane pyrolytic graphite electrodes Shi, Chunnian; Anson, Fred C. Inorganic Chemistry, Vol. 29, Issue 21 https://doi.org/10.1021/ic00346a027	journal	October 1990
Osmotic water transport through carbon nanotube membranes Kalra, A.; Garde, S.; Hummer, G. Proceedings of the National Academy of Sciences, Vol. 100, Issue 18, p. 10175-10180 https://doi.org/10.1073/pnas.1633354100	journal	July 2003
Water conduction through the hydrophobic channel of a carbon nanotube Hummer, G.; Rasaiah, J. C.; Noworyta, J. P. Nature, Vol. 414, Issue 6860 https://doi.org/10.1038/35102535	journal	November 2001
Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes Holt, J. K. Science, Vol. 312, Issue 5776 https://doi.org/10.1126/science.1126298	journal	May 2006
Rapid Transport of Gases in Carbon Nanotubes Skoulidas, Anastasios I.; Ackerman, David M.; Johnson, J. Karl Physical Review Letters, Vol. 89, Issue 18 https://doi.org/10.1103/PhysRevLett.89.185901	journal	October 2002
Proton Transport through Water-Filled Carbon Nanotubes Dellago, Christoph; Naor, Mor M.; Hummer, Gerhard Physical Review Letters, Vol. 90, Issue 10 https://doi.org/10.1103/PhysRevLett.90.105902	journal	March 2003
Nature of proton transport in a water-filled carbon nanotube and in liquid water Chen, Ji; Li, Xin-Zheng; Zhang, Qianfan Physical Chemistry Chemical Physics, Vol. 15, Issue 17 https://doi.org/10.1039/c3cp50218j	journal	January 2013
Origin of Giant Ionic Currents in Carbon Nanotube Channels Pang, Pei; He, Jin; Park, Jae Hyun ACS Nano, Vol. 5, Issue 9 https://doi.org/10.1021/nn202115s	journal	August 2011
An Oxocobalt(IV) Complex Stabilized by Lewis Acid Interactions with Scandium(III) Ions Pfaff, Florian Felix; Kundu, Subrata; Risch, Marcel Angewandte Chemie International Edition, Vol. 50, Issue 7 https://doi.org/10.1002/anie.201005869	journal	December 2010
Spectroscopic Capture and Reactivity of a Low-Spin Cobalt(IV)-Oxo Complex Stabilized by Binding Redox-Inactive Metal Ions Hong, Seungwoo; Pfaff, Florian F.; Kwon, Eunji Angewandte Chemie International Edition, Vol. 53, Issue 39 https://doi.org/10.1002/anie.201405874	journal	July 2014

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