Identification of a Robust and Durable FeN4Cx Catalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand

Chemical vapour deposition of Fe–N–C oxygen reduction catalysts with full utilization of dense Fe–N4 sites

(2021) Li Jiao et al.   NATURE MATERIALS

Coordination environments tune the activity of oxygen catalysis on single atom catalysts: A computational study

(2021) Gaofan Xiao et al.   Nano Research

Experimental and DFT Investigation into Chloride Poisoning Effects on Nitrogen-Coordinated Iron–Carbon (FeNC) Catalysts for Oxygen Reduction Reaction

(2020) Deeksha Jain et al.   Journal of Physical Chemistry C

A DFT study on the relationship between local microstructure and oxygen reduction reaction activity over Fe-N4 graphene

(2020) Baoxin Ge et al.   Materials Today Communications

Identification of durable and non-durable FeNx sites in Fe–N–C materials for proton exchange membrane fuel cells

(2020) Jingkun Li et al.   Nature Catalysis

Cascade anchoring strategy for general mass production of high-loading single-atomic metal-nitrogen catalysts

(2019) Lu Zhao et al.   Nature Communications

PGM-Free Cathode Catalysts for PEM Fuel Cells: A Mini-Review on Stability Challenges

(2019) Yuyan Shao et al.   ADVANCED MATERIALS

57 Fe Mössbauer Spectroscopy Characterization of Electrocatalysts

(2019) Ulrike I. Kramm et al.   ADVANCED MATERIALS

Pathways for O2 Electroreduction over Substitutional FeN4, HOFeN4, and OFeN4 in Graphene Bulk Sites: Critical Evaluation of Overpotential Predictions Using LGER and CHE Models

(2019) Alfred B. Anderson et al.   Journal of Physical Chemistry C

Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57Fe Mössbauer Spectroscopy

(2019) Tzonka Mineva et al.   ACS Catalysis

Electronic structure engineering to boost oxygen reduction activity by controlling the coordination of the central metal

(2018) Yunhu Han et al.   Energy & Environmental Science

Transition-metal-oxide-based catalysts for the oxygen reduction reaction

(2018) Yao Wang et al.   Journal of Materials Chemistry A

Role of Local Carbon Structure Surrounding FeN4 Sites in Boosting the Catalytic Activity for Oxygen Reduction

(2017) Kexi Liu et al.   Journal of Physical Chemistry C

Probing active sites in iron-based catalysts for oxygen electro-reduction: A temperature-dependent 57 Fe Mössbauer spectroscopy study

(2016) Moulay Tahar Sougrati et al.   CATALYSIS TODAY

On an Easy Way To Prepare Metal–Nitrogen Doped Carbon with Exclusive Presence of MeN4-type Sites Active for the ORR

(2016) Ulrike I. Kramm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Linking structure to function: The search for active sites in non-platinum group metal oxygen reduction reaction catalysts

(2016) Edward F. Holby et al.   Nano Energy

Experimental Observation of Redox-Induced Fe–N Switching Behavior as a Determinant Role for Oxygen Reduction Activity

(2015) Qingying Jia et al.   ACS Nano

Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials

(2015) Andrea Zitolo et al.   NATURE MATERIALS

Activity of N-coordinated multi-metal-atom active site structures for Pt-free oxygen reduction reaction catalysis: Role of *OH ligands

(2015) Edward F. Holby et al.   Scientific Reports

Elucidating Oxygen Reduction Active Sites in Pyrolyzed Metal–Nitrogen Coordinated Non-Precious-Metal Electrocatalyst Systems

(2014) Urszula Tylus et al.   Journal of Physical Chemistry C

Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency

(2014) Christopher J. Pollock et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A density functional theory study of catalytic sites for oxygen reduction in Fe/N/C catalysts used in H2/O2 fuel cells

(2014) Csaba E. Szakacs et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A density functional theory study of oxygen reduction reaction on non-PGM Fe–Nx–C electrocatalysts

(2014) Shyam Kattel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Correlations between Mass Activity and Physicochemical Properties of Fe/N/C Catalysts for the ORR in PEM Fuel Cell via 57Fe Mössbauer Spectroscopy and Other Techniques

(2013) Ulrike I. Kramm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Promotion of oxygen reduction by a bio-inspired tethered iron phthalocyanine carbon nanotube-based catalyst

(2013) Ruiguo Cao et al.   Nature Communications

A density functional theory study of oxygen reduction reaction on Me–N4 (Me = Fe, Co, or Ni) clusters between graphitic pores

(2013) Shyam Kattel et al.   Journal of Materials Chemistry A

Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells

(2012) Ulrike I. Kramm et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Electrochemistry and the Future of the Automobile

(2010) Frederick T. Wagner et al.   Journal of Physical Chemistry Letters

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Iron-Based Catalysts with Improved Oxygen Reduction Activity in Polymer Electrolyte Fuel Cells

(2009) Michel Lefèvre et al.   SCIENCE

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

(2007) Fanny Charreteur et al.   ELECTROCHIMICA ACTA