Improving the Activity of M−N 4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption

Enhanced Oxygen Reduction Reaction on Fe/N/C Catalyst in Acetate Buffer Electrolyte

(2019) Kaspar Holst-Olesen et al.   ACS Catalysis

Fabricating Single‐Atom Catalysts from Chelating Metal in Open Frameworks

(2019) Yichao Lin 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

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

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

Enhanced Oxygen Reduction Activity by Selective Anion Adsorption on Non-Precious-Metal Catalysts

(2018) Kaspar Holst-Olesen et al.   ACS Catalysis

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst

(2017) Hoon T. Chung et al.   SCIENCE

Recent Advances in Electrocatalysts for Oxygen Reduction Reaction

(2016) Minhua Shao et al.   CHEMICAL REVIEWS

CO Poisoning Effects on FeNC and CNx ORR Catalysts: A Combined Experimental–Computational Study

(2016) Qiang Zhang et al.   Journal of Physical Chemistry C

Functional Independent Scaling Relation for ORR/OER Catalysts

(2016) Rune Christensen et al.   Journal of Physical Chemistry C

Performance of Fe–N/C Oxygen Reduction Electrocatalysts toward NO2–, NO, and NH2OH Electroreduction: From Fundamental Insights into the Active Center to a New Method for Environmental Nitrite Destruction

(2016) Daniel Malko et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding the High Activity of Fe–N–C Electrocatalysts in Oxygen Reduction: Fe/Fe3C Nanoparticles Boost the Activity of Fe–Nx

(2016) Wen-Jie Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts

(2016) Jason A. Varnell et al.   Nature Communications

Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution

(2016) Michael Busch et al.   Nano Energy

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

Earth-Abundant Nanomaterials for Oxygen Reduction

(2015) Wei Xia et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

(2015) Yu Wang et al.   Nanoscale

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

(2015) Andrea Zitolo et al.   NATURE MATERIALS

Quantifying the density and utilization of active sites in non-precious metal oxygen electroreduction catalysts

(2015) Nastaran Ranjbar Sahraie et al.   Nature Communications

Identifying systematic DFT errors in catalytic reactions

(2015) Rune Christensen et al.   Catalysis Science & Technology

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

A comparison of N-containing carbon nanostructures (CN x ) and N-coordinated iron–carbon catalysts (FeNC) for the oxygen reduction reaction in acidic media

(2014) Deepika Singh et al.   JOURNAL OF CATALYSIS

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

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

Phenylenediamine-Based FeNx/C Catalyst with High Activity for Oxygen Reduction in Acid Medium and Its Active-Site Probing

(2014) Qiang Wang 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

Use of H2S to Probe the Active Sites in FeNC Catalysts for the Oxygen Reduction Reaction (ORR) in Acidic Media

(2014) Deepika Singh et al.   ACS Catalysis

Phosphate-Tolerant Oxygen Reduction Catalysts

(2014) Qing Li et al.   ACS Catalysis

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

Stability, Electronic and Magnetic Properties of In-Plane Defects in Graphene: A First-Principles Study

(2012) Shyam Kattel et al.   Journal of Physical Chemistry C

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

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   ACS Catalysis

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

A review on non-precious metal electrocatalysts for PEM fuel cells

(2011) Zhongwei Chen et al.   Energy & Environmental Science

Poisoning the Oxygen Reduction Reaction on Carbon-Supported Fe and Cu Electrocatalysts: Evidence for Metal-Centered Activity

(2011) Matthew S. Thorum et al.   Journal of Physical Chemistry Letters

The Hydrogen Fuel Alternative

(2011) G.W. Crabtree et al.   MRS BULLETIN

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

(2011) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Does CO poison Fe-based catalysts for ORR?

(2010) Laurent Birry et al.   ELECTROCHEMISTRY COMMUNICATIONS