CO2 Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study

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Items 201–264 of 264

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8. Tuning the electronic structures of monolayer triphosphides MP 3 (M = Sn and Ge) for CO 2 electroreduction through interface engineering: a theoretical prediction
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10. Efficient and Selective Electrochemical CO 2 to Formic Acid Conversion: A First-Principles Study of Single-Atom and Dual-Atom Catalysts on Tin Disulfide Monolayers
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13. Theoretical Study on the Efficient Electrocatalytic N_2 Reduction Reaction of Bimetallic Single Atom Embedded in Phthalocyanine
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14. An investigation of CO2 conversion capacity for PCN series doped with different 3d ions (Fe2+, Co2+ and Cu2+)
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15. A high-throughput screening of catalyst for efficient nitrogen fixation: Transition metal single-atom anchored on an emerging synthesized biphenyl network
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16. Density Functional Theory Investigation of Structure–Activity Relationship for Efficient Electrochemical CO 2 Reduction on Defective SnSe 2 Nanosheets
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17. Graphene-Based Nanostructures in Electrocatalytic Oxygen Reduction
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19. Graphene-Supported Cun (n = 5, 6) Clusters for CO2 Reduction Catalysis
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20. Multi‐Atom Catalysts: Structural Design, Electronic Modulation, and Synergistic Catalysis
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21. Synergistic interaction of FeCo anchored on phthalocyanine for efficient CO2 electroreduction to C2 via microkinetic study
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22. Electronic Modulation in Homonuclear Dual‐Atomic Catalysts for Enhanced CO2 Electroreduction
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25. Chlorine vacancy−induced activation in two−dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+ products
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28. Computational evaluation of sub-nanometer cluster activity of singly exposed copper atom with various coordinative environment in catalytic CO2 transformation
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29. Vacancy-induced high activity of MoS 2 monolayers for CO electroreduction: a computational study
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30. Recent process in developing advanced heterogeneous diatomic-site metal catalysts for electrochemical CO2 reduction
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31. The synergistic effect in the heteronuclear double-atom catalysts on CO activation: Insights from DFT calculations
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32. First-principles design of hetero CoM (M = 3d, 4d, 5d block metals) double-atom catalysts for oxygen evolution reaction under alkaline conditions
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33. Theoretical study on the influence of the extra N in transition metal-N4 embedded graphene as efficient CO2 reduction catalysts
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34. Unravelling the adsorption and electroreduction performance of CO 2 and N 2 over defective and B, P, Si-doped C 3 Ns: a DFT study
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35. Mechanism of transition-metal-cluster-anchored g-C3N4 for the electrochemical catalytic hydrogenation of carbon dioxide to C1 products
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36. Atomic disorder boost the intrinsic activity of the electrocatalyst for electrochemical CO2 reduction
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38. CO 2 electrochemical reduction boosted by the regulated electronic properties of metalloporphyrins through tuning an atomic environment
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40. CO 2 electro-reduction reaction via a two-dimensional TM@TAP single-atom catalyst
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41. Interlayer-confined-enabled dual-site synergy strategy: A bilayer FeN4 catalyst for enhanced CO2 reduction and C-C coupling
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42. Rational design dual-atom catalyst based on phthalocyanine
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43. Efficient photocatalytic overall water splitting for hydrogen evolution and CO2 reduction with SiCP4 allotrope monolayers
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44. Insights into the activation process of CO2 through Dihydrogenation reaction
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45. Tandem Catalysts Based on Bimetallic Single Atoms Embedded in 2D CCFs for Efficient Nitrogen Reduction Reaction
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52. Determination of the Mechanism for Ethylene Formation in CO2 Electroreduction on Copper Electrodes
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53. Atomic-Disorder-Induced Mass Transport and Charge Transfer Enhancement Effect Boost the Intrinsic Activity of the Electrocatalyst Towards Electrochemical Co2 Reduction
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