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Understanding trends in the activity and selectivity of bi-atom catalysts for the electrochemical reduction of carbon dioxide

https://doi.org/10.1039/d1ta01120k
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What this work says

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

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Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide
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Recent Advances in Electrochemical CO 2 ‐to‐CO Conversion on Heterogeneous Catalysts
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Atomically Dispersed Binary Co‐Ni Sites in Nitrogen‐Doped Hollow Carbon Nanocubes for Reversible Oxygen Reduction and Evolution
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Atomically Dispersed Metal Sites in MOF‐Based Materials for Electrocatalytic and Photocatalytic Energy Conversion
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An Isolated Zinc–Cobalt Atomic Pair for Highly Active and Durable Oxygen Reduction
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Isolated Diatomic Ni‐Fe Metal–Nitrogen Sites for Synergistic Electroreduction of CO2
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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
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Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO 2 Reduction
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System Design Rules for Intensifying the Electrochemical Reduction of CO 2 to CO on Ag Nanoparticles
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Metal‐free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity
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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
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PdAg bimetallic electrocatalyst for highly selective reduction of CO2 with low COOH* formation energy and facile CO desorption
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Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations
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Polyvinyl alcohol-modified gold nanoparticles with record-high activity for electrochemical reduction of CO2 to CO
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Single-Atom Catalysts: Synthetic Strategies and Electrochemical Applications
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High-Current-Density CO2-to-CO Electroreduction on Ag-Alloyed Zn Dendrites at Elevated Pressure
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Identification of binuclear Co2N5 active sites for oxygen reduction reaction with more than one magnitude higher activity than single atom CoN4 site
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Surface chemistry of carbon dioxide
inferredcites →https://doi.org/10.1021/acs.jpcc.8b06494openalex-snapshot
Copper Dimer Supported on a C2N Layer as an Efficient Electrocatalyst for CO2 Reduction Reaction: A Computational Study
inferredcites →https://doi.org/10.1021/acs.jpclett.9b02132openalex-snapshot
Coordination Engineering in Cobalt–Nitrogen-Functionalized Materials for CO2 Reduction
inferredcites →https://doi.org/10.1021/acs.nanolett.0c05080openalex-snapshot
High-Throughput Screening of Synergistic Transition Metal Dual-Atom Catalysts for Efficient Nitrogen Fixation
inferredcites →https://doi.org/10.1021/acsami.0c00521openalex-snapshot
Structure-Sensitive Electrocatalytic Reduction of CO2 to Methanol over Carbon-Supported Intermetallic PtZn Nano-Alloys
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CO2 Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study
inferredcites →https://doi.org/10.1021/acscatal.6b00619openalex-snapshot
How Doped MoS 2 Breaks Transition-Metal Scaling Relations for CO 2 Electrochemical Reduction
inferredcites →https://doi.org/10.1021/acssuschemeng.9b05042openalex-snapshot
Synergy of a Metallic NiCo Dimer Anchored on a C 2 N–Graphene Matrix Promotes the Electrochemical CO 2 Reduction Reaction
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Rectangular-Shaped Expanded Phthalocyanines with Two Central Metal Atoms
inferredcites →https://doi.org/10.1021/ja503782wopenalex-snapshot
Embedding Covalency into Metal Catalysts for Efficient Electrochemical Conversion of CO2
inferredcites →https://doi.org/10.1021/ja508879jopenalex-snapshot
Exceptional Size-Dependent Activity Enhancement in the Electroreduction of CO2 over Au Nanoparticles
inferredcites →https://doi.org/10.1021/ja5095099openalex-snapshot
Active and Selective Conversion of CO 2 to CO on Ultrathin Au Nanowires
inferredcites →https://doi.org/10.1021/jacs.5b06568openalex-snapshot
Achieving Selective and Efficient Electrocatalytic Activity for CO 2 Reduction Using Immobilized Silver Nanoparticles
inferredcites →https://doi.org/10.1021/jacs.6b10740openalex-snapshot
Electroreduction of Carbon Dioxide to Hydrocarbons Using Bimetallic Cu–Pd Catalysts with Different Mixing Patterns
inferredcites →https://doi.org/10.1021/jacs.7b03516openalex-snapshot
Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles
inferredcites →https://doi.org/10.1021/jacs.7b05591openalex-snapshot
Lattice-Hydride Mechanism in Electrocatalytic CO 2 Reduction by Structurally Precise Copper-Hydride Nanoclusters
inferredcites →https://doi.org/10.1021/jacs.8b04647openalex-snapshot
Coordination of Atomic Co–Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction
inferredcites →https://doi.org/10.1021/jacs.9b08362openalex-snapshot
Climbing the Apex of the ORR Volcano Plot via Binuclear Site Construction: Electronic and Geometric Engineering
inferredcites →https://doi.org/10.1021/jacs.9b12111openalex-snapshot
Stable and Efficient Single-Atom Zn Catalyst for CO 2 Reduction to CH 4
inferredcites →https://doi.org/10.1021/jacs.9b13349openalex-snapshot
Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts
inferredcites →https://doi.org/10.1021/jp047349jopenalex-snapshot
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
inferredcites →https://doi.org/10.1021/jz201461popenalex-snapshot
Activity Descriptors for CO 2 Electroreduction to Methane on Transition-Metal Catalysts
inferredcites →https://doi.org/10.1021/jz3021155openalex-snapshot
Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO 2 Reduction to CO
inferredcites →https://doi.org/10.1021/nl500682jopenalex-snapshot
Atomic Structure and Dynamics of Metal Dopant Pairs in Graphene
inferredcites →https://doi.org/10.1038/nchem.121openalex-snapshot
Towards the computational design of solid catalysts
inferredcites →https://doi.org/10.1038/nchem.2226openalex-snapshot
Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
inferredcites →https://doi.org/10.1038/ncomms4242openalex-snapshot
A selective and efficient electrocatalyst for carbon dioxide reduction
inferredcites →https://doi.org/10.1038/s41467-018-04845-xopenalex-snapshot
Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation
inferredcites →https://doi.org/10.1038/s41557-018-0201-xopenalex-snapshot
Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO2
inferredcites →https://doi.org/10.1038/s41560-019-0450-yopenalex-snapshot
Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
inferredcites →https://doi.org/10.1038/s41565-018-0089-zopenalex-snapshot
Synergetic interaction between neighbouring platinum monomers in CO2 hydrogenation
inferredcites →https://doi.org/10.1038/s41929-018-0203-5openalex-snapshot
Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution
inferredcites →https://doi.org/10.1039/b804323jopenalex-snapshot
Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels
inferredcites →https://doi.org/10.1039/c0ee00071jopenalex-snapshot
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
inferredcites →https://doi.org/10.1039/c3cp54822hopenalex-snapshot
Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces
inferredcites →https://doi.org/10.1039/c5ee03694aopenalex-snapshot
Amino acid modified copper electrodes for the enhanced selective electroreduction of carbon dioxide towards hydrocarbons
inferredcites →https://doi.org/10.1039/c8ee02656dopenalex-snapshot
Synergistic effect of well-defined dual sites boosting the oxygen reduction reaction
inferredcites →https://doi.org/10.1039/c9cy01709gopenalex-snapshot
Silicon-doped graphene edges: an efficient metal-free catalyst for the reduction of CO 2 into methanol and ethanol
inferredcites →https://doi.org/10.1039/c9qi01688kopenalex-snapshot
Semi-sacrificial template synthesis of single-atom Ni sites supported on hollow carbon nanospheres for efficient and stable electrochemical CO 2 reduction
inferredcites →https://doi.org/10.1039/c9sc05236dopenalex-snapshot
Breaking scaling relations for efficient CO 2 electrochemical reduction through dual-atom catalysts
inferredcites →https://doi.org/10.1039/c9ta13599eopenalex-snapshot
Nitrogen electroreduction performance of transition metal dimers embedded into N-doped graphene: a theoretical prediction
inferredcites →https://doi.org/10.1039/d0ta00033gopenalex-snapshot
Rational design of dual-metal-site catalysts for electroreduction of carbon dioxide
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.7413openalex-snapshot
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.99.016105openalex-snapshot
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
inferredcites →https://doi.org/10.1126/science.aaw7515openalex-snapshot
Atomically dispersed Fe 3+ sites catalyze efficient CO 2 electroreduction to CO

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Bimetal Doped Tetravacancy Defect State Graphene as Efficient Bifunctional Oxygen Redox Catalysts: A Theoretical Research
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Customizing Highly Asymmetrical Coordination Microenvironment into P‐Block Metal Single‐Atom Sites to Boost Electrocatalytic CO2 Reduction
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Adjacent Metal Atomic Pairs Within Atomically Dispersed Catalysts for Reaching a Synergistic Electrocatalytic CO 2 Reduction: A Review
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A Revised High‐Throughput Screening Model on Oxygen Reduction Reaction Over Dual Atom Catalysts Based on the Axial Pre‐Adsorption and O2 Adsorption
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Asymmetric Cu−N1O3 Sites Coupling Atop‐type and Bridge‐type Adsorbed *C1 for Electrocatalytic CO2‐to‐C2 Conversion
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Asymmetric Cu−N1O3 Sites Coupling Atop‐type and Bridge‐type Adsorbed *C1 for Electrocatalytic CO2‐to‐C2 Conversion
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Hybrid Metal–Boron Diatomic Site Embedded in C 2 N Monolayer Promotes C–C Coupling in CO 2 Electroreduction
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Recent Progress of Diatomic Catalysts: General Design Fundamentals and Diversified Catalytic Applications
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Nanostructures and catalytic atoms engineering of tellurium‐based materials and their roles in electrochemical energy conversion
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Bimetallic atomic site catalysts for CO2 reduction reactions: a review
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Coordination-Tuned Cu single-Atom Catalyst for Efficient CO2 Electroreduction to C1 Products
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Bimetal doped tetravacancy defect state graphene as efficient bifunctional oxygen redox catalysts: A theoretical research
inferred← citeshttps://doi.org/10.1016/j.apsusc.2023.156747openalex-snapshot
S and N coordinated single-atom catalysts for electrochemical CO2 reduction with superior activity and selectivity
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Understanding of strain effect on Mo-based MXenes for electrocatalytic CO2 reduction
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Breaking CO2 reduction scaling relations via heterogeneous B/N coordination environments in single-atom catalysts
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Transition metals anchored on pyridine-based graphynes as dual-atom catalysts for electrocatalytic CO2 reduction: a DFT study and machine learning investigation
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TM@MoSSe(TM = Ni,Fe)asnovelelectrocatalystsforreduction of CO2toCO:ADFTstudy
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Theoretical investigation on diatomic copper catalysts coordinated with nitrogen, boron, and sulfur for electrocatalytic CO₂ reduction
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Two-dimensional conjugated MOF TM3(HAT)2 (TM = Cr, Fe, Co and Ni) monolayers as efficient catalysts for electrochemical NO to NH3conversion
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Bimetallic atomic Fe–Mn metal-nitrogen active sites for synergistic enhancement of CO2 electroreduction efficiency
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Enhancing carbon dioxide reduction electrocatalysis by tuning metal-support interactions: a first principles study
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Density functional theory study of single Iron, Cobalt, Nickel atoms adsorbed on Janus MoSSe nanosheets as electrocatalysts for reduction of CO2 to CH3OH
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Recent advances in two-dimensional materials as catalysts for the electrochemical reduction of carbon dioxide
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A feasible strategy for designing cytochrome P450-mimic sandwich-like single-atom nanozymes toward electrochemical CO2 conversion
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Boosting selective CO2 reduction via strong spin–spin coupling on dual-atom spin-catalysts
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Accelerating the design of catalysts for CO2 electroreduction to HCOOH: A data-driven DFT-ML screening of dual atom catalysts
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Breaking the linear scaling relationship in BN-supported metal catalysts for efficient CO2RR towards C1 and C2 products
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A stable and conductive phthalocyanine-porphyrin two-dimensional carbon-rich conjugation frameworks for highly selective electroreduction of carbon dioxide to dimethyl carbonate
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Recent progress of electrochemical reduction of CO2 by single atom catalysts
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A study on the single atom Cu adsorbed Janus MoSSe monolayer as the catalyst for reduction of CO2 to HCOOH
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Theoretical analysis of single Zn atoms with N/C on graphene promoting oxygen redox in alkaline medium
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Metal-based and oxide-derived two-dimensional hybrid electrocatalysts for CO2 reduction reactions
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Rational Design of Dual-Atom Catalysts for Electrochemical CO2 Reduction to C1 and C2 Products with High Activity and Selectivity: A Density Functional Theory Study
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Regulation of the Coordination Structures of Transition Metals on Nitrogen-Doped Carbon Nanotubes for Electrochemical CO2 Reduction
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Possible Electrocatalytic N–N Coupling for the Green Synthesis of Nitramide (NH 2 NO 2 ) via Nitrate Reduction Reaction on Nitrogen-Doped Graphene Supported Dual-Nickel Atoms (Ni 2 –NC)
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Transition Metal-Doped 2D GaN as Single-Atom Electrocatalysts for Lithium–Sulfur Batteries: Insights from First-Principles Calculations
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Identification of an Electronic Descriptor for Interpreting CO 2 ER toward C 2 Product Formation on Cu NP-Based Alloys
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Active Learning Accelerating to Screen Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction
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Theoretical Study on Chloride-Mediated Electro-Oxidation of Ethylene through Reactive Oxygen Species on the FeFeN6 Dual-Atomic-Site in Graphene under Low Applied Potential and with a Wide U-pH Range
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Coordination environment engineering on nickel single-atom catalysts for CO 2 electroreduction
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Support-based modulation strategies in single-atom catalysts for electrochemical CO 2 reduction: graphene and conjugated macrocyclic complexes
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Revealing intrinsic spin coupling in transition metal-doped graphene
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Electrocatalytic CO 2 reduction reaction on dual-metal- and nitrogen-doped graphene: coordination environment effect of active sites
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Reaction mechanism and kinetics for carbon dioxide reduction on iron–nickel Bi-atom catalysts
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Data-driven design of dual-metal-site catalysts for the electrochemical carbon dioxide reduction reaction
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A co-carbonization strategy for confining ultralow-loaded Fe/Mn dual sites in hierarchically porous N-doped carbon for synergistic CO 2 electroreduction
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Axial coordination modification of M–N 4 single-atom catalysts to regulate the electrocatalytic CO 2 reduction reaction
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Efficient urea formation from N 2 O + CO on dual-atom catalysts TM 2 /g-CN
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Computational screening of a promising diatomic catalyst for CO 2 electroreduction to syngas
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Computational screening of defective BC 3 -supported single-atom catalysts for electrochemical CO 2 reduction
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New insights into the enhanced CO 2 RR durability caused by electron-donating substitution of heterogeneous CoPc
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Carbon–metal versus metal–metal synergistic mechanism of ethylene electro-oxidation via electrolysis of water on TM 2 N 6 sites in graphene
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A MXene-supported single atom catalyst selectively converts CO 2 into methanol and methane
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A synergic investigation of experimental and computational dual atom electrocatalysis for CO 2 conversion to C 1 and C 2+ products
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Polar atom-pair catalysts for electrochemical C–N coupling
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Coordination-modulated nonplanar penta-graphene as the electronic structural lever for CO 2 RR activity and selectivity in dual-atom catalysts
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Proximity effects in graphene-supported single-atom catalysts for hydrogen evolution reaction
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Double-atom catalysts for energy-related electrocatalysis applications: a theoretical perspective
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The role of supported dual-atom on graphitic carbon nitride for selective and efficient CO 2 electrochemical reduction
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Ultrahigh-Density Double-Atom Catalyst with Spin Moment as an Activity Descriptor for the Oxygen-Reduction Reaction
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Breaking CO2 Reduction Scaling Relations via Engineered Heterogeneous B/N Coordination in Single-Atom Catalysts
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Recent advances in the theoretical studies on the electrocatalytic CO2 reduction based on single and double atoms
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Rational Design of Single-Atom Catalysts for Electrochemical Carbon Dioxide Reduction toward Multi-Carbon Products
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