Optimizing CO2RR selectivity on single atom catalysts using graphical construction and identification of energy descriptor
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Research context
OpenAlex topics: CO2 Reduction Techniques and Catalysts · Electrocatalysts for Energy Conversion · Carbon dioxide utilization in catalysis
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References (60)
Show source-provided references
1. Recycling of carbon dioxide to methanol and derived products – closing the loop10.1039/C4CS00122B ↗
2. CO2 reduction: the quest for electrocatalytic materials10.1039/C6TA09875D ↗
3. Fundamentals and challenges of electrochemical CO2 reduction using two-dimensional materials10.1016/j.chempr.2017.09.009 ↗
4. Development of catalysts and electrolyzers toward industrial-scale CO2-electroreduction10.1039/D2TA02086F ↗
5. Single-Atom electrocatalysts for multi-electron reduction of CO2
6. Origin of the performance degradation and implementation of stable tin electrodes for the conversion of CO2 to fuels10.1016/j.nanoen.2016.06.028 ↗
7. Electrochemical CO2 reduction: from nanocluster to single atom catalysts10.1039/C9SE00776H ↗
8. Surface strategies for catalytic CO2 reduction: from two-dimensional materials to nanoclusters to single atoms10.1039/C9CS00163H ↗
9. Electrocatalytic carbon dioxide reduction: from fundamental principles to catalyst design
10. Theoretical insights into catalytic CO2 hydrogenation over single-atom (Fe or Ni) incorporated nitrogen-doped graphene10.1016/j.jcou.2021.101532 ↗
11. Unveiling active sites of CO2 reduction on nitrogen-coordinated and atomically dispersed iron and cobalt catalysts10.1021/acscatal.8b00398 ↗
12. Atomically dispersed Ni(I) as the active site for electrochemical CO2 reduction10.1038/s41560-017-0078-8 ↗
13. Progress and perspectives of electrochemical CO2 reduction on copper in aqueous electrolyte10.1021/acs.chemrev.8b00705 ↗
14. Highly efficient electrocatalytic reduction of CO2 to CO by a molecular chromium complex10.1021/acscatal.9b04687 ↗
15. CO2 reduction catalysts on Gold electrode surfaces influenced by large electric fields10.1021/jacs.8b09852 ↗
16. pH effects on the electrochemical reduction of CO2 towards C2 products on stepped copper
17. Enhancing CO2 reduction by suppressing hydrogen evolution with polytetrafluoroethylene protected copper nanoneedles10.1039/D0TA03645E ↗
18. Single-atom catalysis for electrochemical CO2 reduction10.1021/acscatal.1c05750 ↗
19. Nitrogen-doped porous carbon from coal for high efficiency CO2 electrocatalytic reduction10.1016/j.carbon.2019.05.042 ↗
20. Recent advances in single atom catalysts for the electrochemical carbon dioxide reduction reaction10.1039/D1SC01375K ↗
21. Strategic modulation of target-specific isolated Fe, Co single-atom active sites for oxygen electrocatalysis impacting high power Zn–air battery10.1021/acsnano.2c00547 ↗
22. Descriptors and graphical construction for in silico design of efficient and selective single atom catalyst for the eNRR10.1039/D2SC02625B ↗
23. Single-atom catalysis of CO oxidation using Pt1/FeOx10.1038/nchem.1095 ↗
24. Single-atom catalysis using Pt/graphene achieved through atomic layer deposition10.1038/srep01775 ↗
25. Carbon-based single-atom catalysts for CO2 electroreduction: progress and optimization strategies10.1039/D0TA01955K ↗
26. Single Atom Catalysts (SAC) trapped in defective and nitrogen-doped graphene supported on metal substrate10.1016/j.carbon.2020.12.045 ↗
27. Boron bridged NiN4B2Cx single-atom catalyst for superior electrochemical CO2 reduction10.1016/j.mattod.2022.02.008 ↗
28. Hybrid metal–boron diatomic site embedded in C2N monolayer promotes C–C coupling in CO2 electroreduction
29. Promoting the conversion of CO2 to CH4 via synergistic dual active sites10.1039/D1NR02582A ↗
30. Can N, S cocoordination promote single atom catalyst performance in CO2RR? Fe-N2S2 porphyrin versus Fe-N4 porphyrin10.1002/smll.202100949 ↗
31. Synergy of Fe-N4 and non- coordinated boron atoms for highly selective oxidation of amine into nitrile10.1007/s12274-020-2810-0 ↗
32. Carbon nanosheets supporting Ni-N3S single-atom sites for efficient electrocatalytic CO2 reduction10.1016/j.carbon.2021.03.017 ↗
33. Coordination-tuned Fe single-atom catalyst for efficient CO2 electroreduction: the power of B Atom10.1016/j.cej.2021.134270 ↗
34. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
35. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
36. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
37. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
38. Semi-empirical GGA-type density functional constructed with a Long- range dispersion correction10.1002/jcc.20495 ↗
39. Transition metal atoms embedded in graphene: how nitrogen doping increases CO oxidation activity10.1021/acscatal.9b01944 ↗
40. Theoretical understandings of graphene-based metal single-atom catalysts: stability and catalytic performance10.1021/acs.chemrev.0c00818 ↗
41. Nitrogen and boron coordinated single-atom catalysts for low-temperature CO/NO oxidations10.1039/D1TA03099J ↗
42. Atomistic Mechanisms underlying selectivities in C1 and C2 products from electrochemical reduction of CO on Cu (111)10.1021/jacs.6b06846 ↗
43. Highly efficient binary copper-iron catalyst for photoelectrochemical carbon dioxide reduction toward methane10.1073/pnas.1911159117 ↗
44. Scalable strategy to fabricate single Cu atoms coordinated carbons for efficient electroreduction of CO2 to CO10.1016/j.carbon.2020.06.088 ↗
45. Effects of nitrogen and oxygen on electrochemical reduction of CO2 in nitrogen-doped carbon black10.1016/j.carbon.2022.10.038 ↗
46. Highly active and selective oxygen reduction to H2O2 on boron-doped carbon for high production rates10.1038/s41467-021-24329-9 ↗
47. The influence of Heteroatom dopants nitrogen, boron, sulfur, and phosphorous on carbon electrocatalysts for the Oxygen reduction reaction10.1002/cplu.201900083 ↗
48. Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML10.1016/j.apcatb.2020.119866 ↗
49. Structural and electronic descriptors of catalytic activity of graphene-based materials: first-principles theoretical analysis10.1002/smll.201703609 ↗
50. Designing of stable and Highly efficient ordered Pt2CoNi ternary alloy electrocatalyst: the origin of dioxygen reduction activity10.1016/j.nanoen.2017.11.041 ↗
51. Breaking scaling relations for efficient CO2 electrochemical reduction through dual-atom catalysts10.1039/C9SC05236D ↗
52. Mechanistic insights for electrochemical reduction of CO2 into hydrocarbon fuels over O-terminated MXenes10.1039/D1CY02188E ↗
53. Single-atom electrocatalysts from multivariate metal–organic frameworks for highly selective reduction of CO2 at low pressures10.1002/anie.202008787 ↗
54. Engineering atomically dispersed FeN4 active sites for CO2 electroreduction10.1002/anie.202012329 ↗
55. Single-atomic Cu with multiple oxygen vacancies on ceria for electrocatalytic CO2 reduction to CH410.1021/acscatal.8b01014 ↗
56. Boosting CO2 electroreduction to CH4 via tuning neighboring single-copper sites10.1021/acsenergylett.0c00018 ↗
57. Stable and efficient single-atom Zn catalyst for CO2 reduction to CH410.1021/jacs.9b12111 ↗
58. Molecular engineering of dispersed nickel phthalocyanines on carbon nanotubes for selective CO2 reduction10.1038/s41560-020-0667-9 ↗
59. Selective electroreduction of CO2 to acetone by single copper atoms anchored on N-doped porous carbon10.1038/s41467-020-16381-8 ↗
60. Incorporation of nitrogen defects for efficient reduction of CO2 via two-electron pathway on three-dimensional graphene foam10.1021/acs.nanolett.5b04123 ↗