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Phosphorus and Nitrogen Co-Doped Graphene: Stability and Catalytic Activity in Oxygen Reduction Reaction - a Theoretical Insight

https://doi.org/10.2139/ssrn.4820259

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Concepts of Modern Catalysis and Kinetics

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Synthesis of Phosphorus‐Doped Graphene and its Multifunctional Applications for Oxygen Reduction Reaction and Lithium Ion Batteries

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

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Theoretical insights on the reaction pathways for oxygen reduction reaction on phosphorus doped graphene

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Dual-site oxygen reduction reaction mechanism on CoN4 and CoN2 embedded graphene: Theoretical insights

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A review of Fe–N/C and Co–N/C catalysts for the oxygen reduction reaction

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The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study

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Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

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First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction

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Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N

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Haeckelite and N-Doped Haeckelite as Catalysts for Oxygen Reduction Reaction: Theoretical Studies

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Boron-Doped C 3 N Monolayer as a Promising Metal-Free Oxygen Reduction Reaction Catalyst: A Theoretical Insight

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Boron- and Nitrogen-Substituted Graphene Nanoribbons as Efficient Catalysts for Oxygen Reduction Reaction

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What Are Batteries, Fuel Cells, and Supercapacitors?

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Doped Graphene as a Material for Oxygen Reduction Reaction in Hydrogen Fuel Cells: A Computational Study

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Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations

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Origin of the Electrocatalytic Oxygen Reduction Activity of Graphene-Based Catalysts: A Roadmap to Achieve the Best Performance

inferredcites →https://doi.org/10.1021/ja502646copenalex-extracted

Active Sites and Mechanisms for Oxygen Reduction Reaction on Nitrogen-Doped Carbon Alloy Catalysts: Stone–Wales Defect and Curvature Effect

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Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

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Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells

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Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

inferredcites →https://doi.org/10.1021/nn102598mopenalex-extracted

Structural Defects in Graphene

inferredcites →https://doi.org/10.1021/nn3021234openalex-extracted

Binary and Ternary Doping of Nitrogen, Boron, and Phosphorus into Carbon for Enhancing Electrochemical Oxygen Reduction Activity

inferredcites →https://doi.org/10.1039/c3ra41079jopenalex-extracted

Phosphorus-doped graphene nanosheets as efficient metal-free oxygen reduction electrocatalysts

inferredcites →https://doi.org/10.1039/c4cc05055jopenalex-extracted

Molecular doping of graphene as metal-free electrocatalyst for oxygen reduction reaction

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Monolayer and bilayer polyaniline C 3 N: two-dimensional semiconductors with high thermal conductivity

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Ion and electron irradiation-induced effects in nanostructured materials

inferredcites →https://doi.org/10.1063/1.438523openalex-extracted

Effect of pressure on bonding in black phosphorus

inferredcites →https://doi.org/10.1073/pnas.1605318113openalex-extracted

Two-dimensional polyaniline (C 3 N) from carbonized organic single crystals in solid state

inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-extracted

Ab initio molecular dynamics for liquid metals

inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-extracted

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

inferredcites →https://doi.org/10.1103/physrevb.85.155454openalex-extracted

Tuning the catalytic property of nitrogen-doped graphene for cathode oxygen reduction reaction

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1126/science.1168049openalex-extracted

Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

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Nanomaterials and structures for the fourth innovation of polymer electrolyte fuel cell

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Computational characterization of monolayer C3N: A two-dimensional nitrogen-graphene crystal

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