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Identification of a Robust and Durable FeN 4 C x Catalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand

Journal Article · · ACS Catalysis
 [1];  [2];  [3];  [4];  [5];  [5];  [1]
  1. Research Group PLASMANT, NANO Lab Center of Excellence, Department of Chemistry, University of Antwerp, Universiteitsplein 1, Wilrijk, Antwerp B-2610, Belgium
  2. Department of Physics, School of Engineering Science, LUT University, FI-53851 Lappeenranta, Finland; Department of Physics, Northeastern University, Boston, Massachusetts 02115, United States
  3. Department of Physics, Northeastern University, Boston, Massachusetts 02115, United States
  4. EMAT & NanoLab Center of Excellence, Department of Physics, University of Antwerp, Wilrijk, Antwerp B-2610, Belgium
  5. Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Northeastern Univ., Boston, MA (United States); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
DOE Contract Number:
EE0008416; FG02-07ER46352; AC02-05CH11231
OSTI ID:
1978314
Journal Information:
ACS Catalysis, Vol. 12, Issue 13; ISSN 2155-5435
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (51)

Electrochemistry and the Future of the Automobile journal June 2010
Transition-metal-oxide-based catalysts for the oxygen reduction reaction journal January 2018
Cascade anchoring strategy for general mass production of high-loading single-atomic metal-nitrogen catalysts journal March 2019
PGM‐Free Cathode Catalysts for PEM Fuel Cells: A Mini‐Review on Stability Challenges journal December 2018
Oxygen reduction characteristics of graphite electrodes modified with cobalt di-quinolyldiamine derivatives journal September 2000
Iron(III) tetramethoxyphenylporphyrin (FeTMPP-C1) as electrocatalyst for oxygen reduction in direct methanol fuel cells journal September 2001
O 2 Reduction in PEM Fuel Cells: Activity and Active Site Structural Information for Catalysts Obtained by the Pyrolysis at High Temperature of Fe Precursors journal November 2000
Molecular Oxygen Reduction in PEM Fuel Cells:  Evidence for the Simultaneous Presence of Two Active Sites in Fe-Based Catalysts journal August 2002
On Active-Site Heterogeneity in Pyrolyzed Carbon-Supported Iron Porphyrin Catalysts for the Electrochemical Reduction of Oxygen:  An In Situ Mössbauer Study
  • Bouwkamp-Wijnoltz, A. L.; Visscher, W.; van Veen, J. A. R.
  • The Journal of Physical Chemistry B, Vol. 106, Issue 50, p. 12993-13001 https://doi.org/10.1021/jp0266087
journal December 2002
Thermogravimetry/Mass Spectrometry Investigations on the Formation of Oxygen Reduction Catalysts for PEM Fuel Cells on the Basis of Heat-Treated Iron Phenanthroline Complexes journal December 2002
Catalysts for the Oxygen Reduction from Heat-Treated Iron(III) Tetramethoxyphenylporphyrin Chloride:  Structure and Stability of Active Sites
  • Schulenburg, Hendrik; Stankov, Svetoslav; Schünemann, Volker
  • The Journal of Physical Chemistry B, Vol. 107, Issue 34, p. 9034-9041 https://doi.org/10.1021/jp030349j
journal August 2003
Oxygen Reduction Catalysts for Polymer Electrolyte Fuel Cells from the Pyrolysis of Iron Acetate Adsorbed on Various Carbon Supports journal February 2003
Fe-Based Catalysts for Oxygen Reduction in PEM Fuel Cells journal January 2004
Fe/N/C non-precious catalysts for PEM fuel cells: Influence of the structural parameters of pristine commercial carbon blacks on their activity for oxygen reduction journal February 2008
Iron-Based Catalysts with Improved Oxygen Reduction Activity in Polymer Electrolyte Fuel Cells journal April 2009
Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials journal August 2015
Coordination environments tune the activity of oxygen catalysis on single atom catalysts: A computational study journal December 2021
Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis journal January 2022
Pathways for O 2 Electroreduction over Substitutional FeN 4 , HOFeN 4 , and OFeN 4 in Graphene Bulk Sites: Critical Evaluation of Overpotential Predictions Using LGER and CHE Models journal July 2019
Experimental Observation of Redox-Induced Fe–N Switching Behavior as a Determinant Role for Oxygen Reduction Activity journal October 2015
Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency
  • Pollock, Christopher J.; Delgado-Jaime, Mario Ulises; Atanasov, Mihail
  • Journal of the American Chemical Society, Vol. 136, Issue 26 https://doi.org/10.1021/ja504182n
journal June 2014
Probing active sites in iron-based catalysts for oxygen electro-reduction: A temperature-dependent 57 Fe Mössbauer spectroscopy study journal March 2016
57 Fe Mössbauer Spectroscopy Characterization of Electrocatalysts journal December 2018
Potential‐Induced Spin Changes in Fe/N/C Electrocatalysts Assessed by In Situ X‐ray Emission Spectroscopy journal April 2021
Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells journal January 2012
Correlations between Mass Activity and Physicochemical Properties of Fe/N/C Catalysts for the ORR in PEM Fuel Cell via 57 Fe Mössbauer Spectroscopy and Other Techniques journal January 2014
Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57 Fe Mössbauer Spectroscopy journal September 2019
Identification of durable and non-durable FeNx sites in Fe–N–C materials for proton exchange membrane fuel cells journal December 2020
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Projector augmented-wave method journal December 1994
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
A grid-based Bader analysis algorithm without lattice bias journal January 2009
Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes:  A Density Functional Study journal November 1997
Linking structure to function: The search for active sites in non-platinum group metal oxygen reduction reaction catalysts journal November 2016
A density functional theory study of catalytic sites for oxygen reduction in Fe/N/C catalysts used in H2/O2 fuel cells journal January 2014
Role of Local Carbon Structure Surrounding FeN 4 Sites in Boosting the Catalytic Activity for Oxygen Reduction journal May 2017
Elucidating Oxygen Reduction Active Sites in Pyrolyzed Metal–Nitrogen Coordinated Non-Precious-Metal Electrocatalyst Systems journal April 2014
A density functional theory study of oxygen reduction reaction on Me–N4 (Me = Fe, Co, or Ni) clusters between graphitic pores journal January 2013
A density functional theory study of oxygen reduction reaction on non-PGM Fe–Nx–C electrocatalysts journal January 2014
On the low-lying states and electronic spectroscopy of iron(II) porphine journal April 1986
Chemical vapour deposition of Fe–N–C oxygen reduction catalysts with full utilization of dense Fe–N4 sites journal June 2021
On the Influence of Oxygen on the Degradation of Fe‐N‐C Catalysts journal January 2020
Promotion of oxygen reduction by a bio-inspired tethered iron phthalocyanine carbon nanotube-based catalyst journal June 2013
Activity of N-coordinated multi-metal-atom active site structures for Pt-free oxygen reduction reaction catalysis: Role of *OH ligands journal March 2015
Experimental and DFT Investigation into Chloride Poisoning Effects on Nitrogen-Coordinated Iron–Carbon (FeNC) Catalysts for Oxygen Reduction Reaction journal April 2020
A DFT study on the relationship between local microstructure and oxygen reduction reaction activity over Fe-N4 graphene journal December 2020
Behavior of metallic iron catalysts during Fischer-Tropsch synthesis studied with Mössbauer spectroscopy, x-ray diffraction, carbon content determination, and reaction kinetic measurements journal December 1980
Calculations of Mössbauer parameters in solids by DFT bandstructure calculations journal March 2010
Moessbauer investigations of high-spin ferrous heme proteins. II. Chloroperoxidase, horseradish peroxidase, and hemoglobin journal September 1975
On an Easy Way To Prepare Metal–Nitrogen Doped Carbon with Exclusive Presence of MeN 4 -type Sites Active for the ORR journal January 2016

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