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Electrocatalytic CO2 Hydrogenation on Boron Doped Graphene: Role of B-Concentration

https://doi.org/10.2139/ssrn.5676885
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Formaldehyde gas sensing properties of transition metal-doped graphene: a first-principles study
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Graphene-supported metal single-atom catalysts: a concise review
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Transition metal adatoms on graphene: A systematic density functional study
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Commensurate lattice constant dependent thermal conductivity of misoriented bilayer graphene
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A fast and robust algorithm for Bader decomposition of charge density
inferredcites →https://doi.org/10.1016/j.jcat.2023.04.002openalex-snapshot
CO2 electroreduction on single atom catalysts: Is water just a solvent?
inferredcites →https://doi.org/10.1021/acs.chemrev.0c00818openalex-snapshot
Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance
inferredcites →https://doi.org/10.1021/acs.chemrev.0c01097openalex-snapshot
Introduction: Heterogeneous Single-Atom Catalysis
inferredcites →https://doi.org/10.1021/acs.chemrev.9b00311openalex-snapshot
Well-Defined Materials for Heterogeneous Catalysis: From Nanoparticles to Isolated Single-Atom Sites
inferredcites →https://doi.org/10.1021/acs.inorgchem.2c02020openalex-snapshot
Single-Atom Catalysts Supported on the Graphene/Graphdiyne Heterostructure for Effective CO 2 Electroreduction
inferredcites →https://doi.org/10.1021/acs.jpcc.0c10802openalex-snapshot
High-Throughput Screening of Nitrogen-Coordinated Bimetal Catalysts for Multielectron Reduction of CO 2 to CH 4 with High Selectivity and Low Limiting Potential
inferredcites →https://doi.org/10.1021/acs.jpcc.1c07859openalex-snapshot
Nb-Implanted BaO as a Support for Gold Single Atoms
inferredcites →https://doi.org/10.1021/acs.jpcc.1c09740openalex-snapshot
Theoretical Insights into Nitrogen-Doped Graphene-Supported Fe, Co, and Ni as Single-Atom Catalysts for CO2 Reduction Reaction
inferredcites →https://doi.org/10.1021/acs.langmuir.1c03187openalex-snapshot
Adsorption of Transition-Metal Clusters on Graphene and N-Doped Graphene: A DFT Study
inferredcites →https://doi.org/10.1021/acsami.7b05755openalex-snapshot
Nitrogen-Doped Graphene on Transition Metal Substrates as Efficient Bifunctional Catalysts for Oxygen Reduction and Oxygen Evolution Reactions
inferredcites →https://doi.org/10.1021/ar300361mopenalex-snapshot
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
inferredcites →https://doi.org/10.1021/jacs.2c11643openalex-snapshot
Cation-Coordinated Inner-Sphere CO 2 Electroreduction at Au–Water Interfaces
inferredcites →https://doi.org/10.1021/jacs.6b08534openalex-snapshot
Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water
inferredcites →https://doi.org/10.1021/jp047349jopenalex-snapshot
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
inferredcites →https://doi.org/10.1038/s41929-022-00885-1openalex-snapshot
Peripheral-nitrogen effects on the Ru1 centre for highly efficient propane dehydrogenation
inferredcites →https://doi.org/10.1039/c5cc06051fopenalex-snapshot
Metal-free boron-doped graphene for selective electroreduction of carbon dioxide to formic acid/formate
inferredcites →https://doi.org/10.1039/c6ee00383dopenalex-snapshot
CO 2 photo-reduction: insights into CO 2 activation and reaction on surfaces of photocatalysts
inferredcites →https://doi.org/10.1039/c9cs00422jopenalex-snapshot
Single atom electrocatalysts supported on graphene or graphene-like carbons
inferredcites →https://doi.org/10.1039/d0cs00795aopenalex-snapshot
Theoretical insights into single-atom catalysts
inferredcites →https://doi.org/10.1039/d0ta10875hopenalex-snapshot
Catalytic mechanism and design principle of coordinately unsaturated single metal atom-doped covalent triazine frameworks with high activity and selectivity for CO 2 electroreduction
inferredcites →https://doi.org/10.1039/d1ta08561aopenalex-snapshot
Synergistically enhanced single-atomic site catalysts for clean energy conversion
inferredcites →https://doi.org/10.1039/d1ta09015aopenalex-snapshot
Structural rule of N-coordinated single-atom catalysts for electrochemical CO 2 reduction
inferredcites →https://doi.org/10.1039/d2cp01316aopenalex-snapshot
C 2 product formation in the CO 2 electroreduction on boron-doped graphene anchored copper clusters
inferredcites →https://doi.org/10.1039/d3cp04841aopenalex-snapshot
A first-principles study of electro-catalytic reduction of CO 2 on transition metal-doped stanene
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
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