Theoretical Insights into Heterogeneous (Photo)electrochemical CO2Reduction

Xu, Shenzhen, Carter, Emily A.·2019·Chemical Reviews

Cited by (652)

Items 401–500 of 652

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  5. Enhanced photocatalytic CO2 reduction of Bi2WO6-BiOCl heterostructure with coherent interface for charge utilization
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  7. Balancing Competing Reactions in Hydride Transfer Catalysis via Catalyst Surface Doping: The Ionization Energy Descriptor
    Shenzhen Xu, Emily A. Carter · 2019 · Journal of the American Chemical Society
  8. Ratio Oxalate to Formate Tuned by pH During CO2 Reduction Driven by Solvated Electron at the Electrified Plasma/Liquid Interface
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  10. Catalysis of CO 2 reduction by diazapyridinophane complexes of Fe, Co, and Ni: CO 2 binding triggered by combined frontier MO associations involving a SOMO
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  11. Electrochemical Synthesis of a WO3/MoSx Heterostructured Bifunctional Catalyst for Efficient Overall Water Splitting
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  12. Breaking BEP Relationship with Strong CO Binding and Low C–C Coupling Barriers for Ethanol Synthesis on Boron-Doped Graphyne: Bond Order Conservation and Flexible Orbital Hybridization
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  13. Discovering Competing Electrocatalytic Mechanisms and Their Overpotentials: Automated Enumeration of Oxygen Evolution Pathways
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  14. Intermetallic Cu 11 In 9 in situ formed on hierarchical nanoporous Cu for highly selective CO 2 electroreduction
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  15. Synthesis of a Boron–Imidazolate Framework Nanosheet with Dimer Copper Units for CO2 Electroreduction to Ethylene
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  16. Recent Advances in Carbon Dioxide Conversion: A Circular Bioeconomy Perspective
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  17. The energetics of electron and proton transfer to CO 2 in aqueous solution
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  18. Photo/electrocatalytic Reduction of CO 2 to C2+ Products on MOF‐Based Catalysts
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  19. Synergistic effect of CexOy and Zn ion within the ZIF-zni framework for enhanced electrocatalytic reduction of CO2
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  21. Single-atom catalysis: a promising avenue for precisely controlling reaction pathways
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  24. Photoelectrochemically driven nanoparticulate semiconductors as nanobipolar electrodes for advanced water remediation
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  25. Surface and Interface Engineering for the Catalysts of Electrocatalytic CO 2 Reduction
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  26. Synergy Effect of Pd Nanoparticles and Oxygen Vacancies for Enhancing TiO2 Photocatalytic CO2 Reduction
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  28. Electrochemical reactions towards the formation of heteroatomic bonds beyond CO 2 and N 2 reduction
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  29. Design of covalent organic frameworks (COFs) for photocatalytic CO 2 reduction under metal-free conditions
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  30. Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications
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  32. Molecular modification of planar four-coordinated cobalt active site for the electrochemical reduction of carbon dioxide: a density functional theory study
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  33. Discovering Ni/Cu Single-Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study
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  34. Fundamentals on kinetics of electrochemical reduction of CO2 at a bismuth electrode
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  35. Insights of Fe2O3 and MoO3 Electrodes for Electrocatalytic CO2 Reduction in Aprotic Media
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  41. Potential of Molecular Catalysts with Electron-Rich Transition Metal Centers for Addressing Long-Standing Chemistry Enigmas
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  44. The cooperative performance of iodo and copper in a Zr-based UiO-67 metal-organic framework for highly selective photocatalytic CO2 reduction to methanol
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  45. Cooperation and competition between magnetism and chemisorption
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  46. Theoretical Research on the Electroreduction of Carbon Dioxide
    Qi Yuan, Hao Yang, Miao Xie, Tao Cheng · 2020 · Acta Physico-Chimica Sinica
  47. Carbon dioxide storage and separation using all-boron B38 fullerene: DFT calculations
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  48. Copper and cobalt loading carbon as an efficient catalyst for the electroreduction CO2 to CO and hydrocarbons
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  49. Local concentration effect on nano-electrocatalytic CO2 reduction
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  50. Aligning Electronic Energy Levels in Pyridine-Assisted CO2 Activation at the GaP(110)/Water Interface Using Ab Initio Molecular Dynamics
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  51. Selective methanol production via CO2 reduction on Cu2O revealed by micro-kinetic study combined with constant potential model
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  52. Modulating S coordination in CuNi–N–S dual-atom catalyst for high-performance electrocatalytic CO2 reduction
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  53. Investigation on Reactivity and Selectivity of Electrocatalytic CO 2 Reduction in Photochemically Synthesized Ag 19 and Alloyed Ag 19 Cu 2 and Ag 12 Cu 7 Nanoclusters
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  54. Harnessing structural disorder: amorphous–crystalline heterostructures as a platform for next-generation photocatalysis
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  55. Photo-assisted electrochemical CO 2 reduction using a translucent thin film electrode
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  56. Ab Initio Study of Metal Oxo-Trimer Nanoporous MOF Building Units for the Catalytic Conversion of CO2 to Methanol
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  57. Competitive Hydration Versus Migration of Pre‐hydrated Electrons for CO2 Reduction in Aqueous Solution Revealed by Ab Initio Molecular Dynamics Simulation
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  58. Controlling C–C coupling reactivity through pore shape engineering of B-doped graphyne family
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  59. Theoretical Efficiency Limits of Photoelectrochemical CO2 Reduction: A Route‐Dependent Thermodynamic Analysis
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  60. Lanthanum bismuth oxide photocatalysts for CO 2 reduction to CO with high selectivity
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  61. Effect of the dispersion behavior of cerium oxygen species on CO2 adsorption performance
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  62. The electrocatalytic performance of Ni–AlO(OH) 3 @RGO for the reduction of CO 2 to CO
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  63. Electrocatalysis with metal-free carbon-based catalysts
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  64. Room-temperature Electrochemical C1-to-fuel Conversion: Perspectives from Material Engineering and Device Design
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  65. Resolving atomistic structure and oxygen evolution activity in nickel antimonates
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  66. Metal‐free Catalyst B 2 S Sheet for Effective CO 2 Electrochemical Reduction to CH 3 OH
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  67. Multiphysics Modeling of Heat and Mass Transfer for Photoelectrochemical CO 2 Reduction to CO
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  68. Elucidating ionic liquids-mediated electrochemical interfaces for energy storage and electrocatalysis
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  70. Imidazolium functionalized polymers for effective electrochemical reduction of CO2
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  71. A Water Soluble Cobalt(II) Complex with 1,10-Phenanthroline, a Catalyst for Visible-Light-Driven Reduction of CO2 to CO with High Selectivity
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  72. Advances in CO2 utilization employing anisotropic nanomaterials as catalysts: a review
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  73. Photoinduced deposition of cubic Pd on the edge active sites of BiOCl to enhance photocatalytic CO2 reduction performance
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  74. Ag single-atom modification of MgAl-LDH to enhance the CH 4 product selectivity in CO 2 reduction: a DFT study
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  76. Electrochemical CO 2 reduction on Cu single atom catalyst and Cu nanoclusters: an ab initio approach
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  77. Atomically dispersed copper catalysts for highly selective CO 2 reduction
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  78. Theoretical study on the electrocatalytic CO2 reduction mechanisms using carbon-nanotube-supported carbon-based single metal atom catalysts
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  79. Optimal functionalization of a molecular electrocatalyst for hydride transfer
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