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DFT Insights into NO Electrochemical Reduction: A Case Study of Pt(211) and Cu(211) Surfaces

https://doi.org/10.1021/acscatal.1c04493

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What this work says

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

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Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

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Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles

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Electrochemical Nitric Oxide Reduction on Metal Surfaces

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Mechanistic Study on the Electrocatalytic Reduction of Nitric Oxide on Transition-Metal Electrodes

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Universality in Heterogeneous Catalysis

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On the voltammetric and spectroscopic characterization of nitric oxide adlayers formed from nitrous acid on Pt(h,k,l) and Rh(h,k,l) electrodes

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Development of catalysts for a selective nitrate and nitrite removal from drinking water

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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A density functional theory study of the mechanism and onset potentials for the major products of NO electroreduction on transition metal catalysts

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Using Brønsted-Evans-Polanyi relations to predict electrode potential-dependent activation energies

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Mechanisms of electrochemical reduction and oxidation of nitric oxide

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Electrocatalytic reduction of nitrite on transition and coinage metals

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Interconversions of nitrogen-containing species on Pt(100) and Pt(111) electrodes in acidic solutions containing nitrate

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Electrocatalytic Nitrate Reduction for Sustainable Ammonia Production

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Nitrate reduction pathways on Cu single crystal surfaces: Effect of oxide and Cl−

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Mechanistic study of the nitric oxide reduction on a polycrystalline platinum electrode

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Electrocatalytic reduction of nitrate at low concentration on coinage and transition-metal electrodes in acid solutions

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Electrocatalytic reduction of NO on metal electrodes and gas diffusion electrodes in an aqueous electrolyte

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A first-principles study of surface and subsurface H on and in Ni(111): diffusional properties and coverage-dependent behavior

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Electrocatalytic reduction of NO3− on palladium/copper electrodes

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Activation of CO 2 on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons

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Unveiling Potential Dependence in NO Electroreduction to Ammonia

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First-Principles Analysis of Coverage, Ensemble, and Solvation Effects on Selectivity Trends in NO Electroreduction on Pt3Sn Alloys

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Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100)

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Structure- and Coverage-Sensitive Mechanism of NO Reduction on Platinum Electrodes

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Nitrogen Cycle Electrocatalysis

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Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

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Density Functional Theory Calculations and Analysis of Reaction Pathways for Reduction of Nitric Oxide by Hydrogen on Pt(111)

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Critical Review of Pd-Based Catalytic Treatment of Priority Contaminants in Water

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Structure Dependence of NO Adsorption and Dissociation on Platinum Surfaces

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Nitrate Adsorption and Reduction on Cu(100) in Acidic Solution

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

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Mechanism of Electrocatalytic Reduction of Nitric Oxide on Pt(100)

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Nitric Oxide Reduction and Oxidation on Stepped Pt[n(111)×(111)] Electrodes

inferredcites →https://doi.org/10.1021/la0475831openalex-snapshot

Reduction of NO Adlayers on Pt(110) and Pt(111) in Acidic Media: Evidence for Adsorption Site-Specific Reduction

inferredcites →https://doi.org/10.1023/a:1019073208575openalex-snapshot

Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces

inferredcites →https://doi.org/10.1038/s41560-020-0654-1openalex-snapshot

Electrochemical reduction of nitrate to ammonia via direct eight-electron transfer using a copper–molecular solid catalyst

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Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water

inferredcites →https://doi.org/10.1039/b717396bopenalex-snapshot

Electrochemical and FTIRS characterisation of NO adlayers on cyanide-modified Pt(111) electrodes: the mechanism of nitric oxide electroreduction on Pt

inferredcites →https://doi.org/10.1039/b803088jopenalex-snapshot

Differential reactivity of Cu(111) and Cu(100) during nitratereduction in acid electrolyte

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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

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

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What points at this work

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