skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Increasing the Rate of Hydrogen Oxidation without Increasing the Overpotential: A Bio-Inspired Iron Molecular Electrocatalyst with an Outer Coordination Sphere Proton Relay

Journal Article · · Chemical Science
DOI:https://doi.org/10.1039/C5SC00398A· OSTI ID:1210493
; ; ; ; ; ;

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for Molecular Electrocatalysis (CME)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1210493
Journal Information:
Chemical Science, Vol. 6; Related Information: CME partners with Pacific Northwest National Laboratory (lead); University of Illinois, Urbana-Champaign; Pennsylvania State University; University of Washington; University of Wyoming
Country of Publication:
United States
Language:
English

References (42)

Complexes of earth-abundant metals for catalytic electrochemical hydrogen generation under aqueous conditions journal January 2013
Catalysts made of earth-abundant elements (Co, Ni, Fe) for water splitting: Recent progress and future challenges journal January 2012
Mechanistic insights into hydride transfer for catalytic hydrogenation of CO 2 with cobalt complexes journal January 2014
Properties of Bases in Acetonitrile as Solvent. IV. Proton Acceptor Power and Homoconjugation of Mono- and Diamines journal November 1965
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] journal February 1997
A short history of SHELX journal December 2007
Combining acid–base, redox and substrate binding functionalities to give a complete model for the [FeFe]-hydrogenase journal October 2011
Determining the Overpotential for a Molecular Electrocatalyst journal December 2013
Catalytic Turnover of [FeFe]-Hydrogenase Based on Single-Molecule Imaging journal October 2011
A Functional [NiFe]Hydrogenase Mimic That Catalyzes Electron and Hydride Transfer from H2 journal February 2013
Will Solar-Driven Water-Splitting Devices See the Light of Day? journal September 2013
An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen journal February 2013
Density-functional approximation for the correlation energy of the inhomogeneous electron gas journal June 1986
Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening journal August 2009
Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine journal June 2012
p K a Measurements of P(RNCH 2 CH 3 ) 3 N journal August 2000
Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H⋅⋅⋅H-N Dihydrogen Bond Characterized by Neutron Diffraction journal April 2014
Catalysis of chemical reactions by electrodes journal September 1980
Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides journal January 2014
Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile journal June 2012
Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres journal March 2014
Dihydrogen Bonding:  Structures, Energetics, and Dynamics journal July 2001
Energy-adjustedab initio pseudopotentials for the second and third row transition elements journal January 1990
OLEX2 : a complete structure solution, refinement and analysis program journal January 2009
Fully optimized contracted Gaussian basis sets for atoms Li to Kr journal August 1992
Toward Molecular Catalysts by Computer journal January 2015
Preparation, Facile Deprotonation, and Rapid H/D Exchange of the μ-Hydride Diiron Model Complexes of the [FeFe]-Hydrogenase Containing a Pendant Amine in a Chelating Diphosphine Ligand journal December 2009
Earth-abundant hydrogen evolution electrocatalysts journal January 2014
Basicity of substituted 2-phenyl-1,1,3,3- tetramethylguanidines and other bases in acetonitrile solvent journal April 1989
Theory of Stationary Electrode Polarography. Single Scan and Cyclic Methods Applied to Reversible, Irreversible, and Kinetic Systems. journal April 1964
Small molecule mimics of hydrogenases: hydrides and redox journal January 2009
Structural and Functional Analogues of the Active Sites of the [Fe]-, [NiFe]-, and [FeFe]-Hydrogenases † journal June 2009
Beyond the Active Site: The Impact of the Outer Coordination Sphere on Electrocatalysts for Hydrogen Production and Oxidation journal June 2014
Catalytic Activation of H 2 under Mild Conditions by an [FeFe]-Hydrogenase Model via an Active μ-Hydride Species journal September 2013
Hydrogenases journal March 2014
Structure-Function Relationships in [FeFe]-Hydrogenase Active Site Maturation journal March 2012
Development of Molecular Electrocatalysts for Energy Storage journal February 2014
A modular, energy-based approach to the development of nickel containing molecular electrocatalysts for hydrogen production and oxidation journal August 2013
Merging the old with the new journal December 2011
Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate journal November 2012
Homogeneous Ni Catalysts for H 2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory journal December 2010
Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H⋅⋅⋅H-N Dihydrogen Bond Characterized by Neutron Diffraction journal April 2014

Cited By (5)

A New Redox Mediator (Cupric‐Neocuproine Complex)‐ Modified Pencil Graphite Electrode for the Electrocatalytic Oxidation of H 2 O 2 : A Flow Injection Amperometric Sensor journal January 2020
Synthesis and Structure of Vanadium Halide Complexes Containing Diphosphine Ligands with Pendant Amines journal February 2016
Dinitrogen Activation and Functionalization Using β-Diketiminate Iron Complexes: Dinitrogen Activation and Functionalization Using β-Diketiminate Iron Complexes journal April 2019
Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis – effects of various proton relays during catalysis journal January 2019
Chicken fat for catalysis: a scaffold is as important for molecular complexes for energy transformations as it is for enzymes in catalytic function journal January 2019

Linked Research (1)

Similar Records

Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay
Journal Article · Thu Jan 01 00:00:00 EST 2015 · Chemical Science · OSTI ID:1210493
+4 more
Increasing the rate of hydrogen oxidation without increasing the overpotential: A bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay
Journal Article · Thu Mar 05 00:00:00 EST 2015 · Chemical Science · OSTI ID:1210493
+4 more
Outer Coordination Sphere Proton Relay Base and Proximity Effects on Hydrogen Oxidation with Iron Electrocatalysts
Journal Article · Mon Mar 25 00:00:00 EDT 2019 · Organometallics · OSTI ID:1210493
+3 more

Related Subjects

catalysis (homogeneous)
catalysis (heterogeneous)
solar (fuels)
bio-inspired
energy storage (including batteries and capacitors)
hydrogen and fuel cells
charge transport
materials and chemistry by design
synthesis (novel materials)