journal article·2025-11

Simultaneously regulating catalytic activity and stability of single-atom catalysts by the interlayer space of C2N/M-N4-C bilayer for enhanced oxygen reduction reaction

Zongchang Mao, Tiantian Hao, Lingli Liu, Guanping Wei, Zhizhi Jiang, Ling Zhu, Shaobin Tang

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Electrocatalysts for Energy Conversion · Fuel Cells and Related Materials · Catalytic Processes in Materials Science

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (55)

Show source-provided references
1. Atomically dispersed Fe2 and Ni sites for efficient and durable oxygen electrocatalysis10.1002/anie.202421168 ↗
2. Oxygen electrochemistry as a cornerstone for sustainable energy conversion10.1002/anie.201306588 ↗
3. A high-performance electrocatalyst for oxygen reduction derived from copolymer-anchored polyoxometalates10.1007/s12274-024-6459-y ↗
4. Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction10.1126/science.aad8892 ↗
5. Nanoscale structure design for high-performance Pt-based ORR catalysts10.1002/adma.201802234 ↗
6. Screening effective single-atom ORR and OER electrocatalysts from Pt decorated MXenes by first-principles calculations10.1039/D0TA04429F ↗
7. One-pot gram-scale rapid synthesis of MN4 complexes with 14-membered ring macrocyclic ligand as a precursor for carbon-based ORR and CO2RR catalysts10.1039/D3DT04129H ↗
8. Marriage of ultralow platinum and single-atom MnN4 moiety for augmented ORR and HER catalysis10.1021/acscatal.2c06340 ↗
9. Bridge bonded oxygen ligands between approximated FeN4 sites confer catalysts with high ORR performance10.1002/anie.202004534 ↗
10. Unraveling the mechanism of pyrrole and N-defect regulating CoN4 single atom catalysts as a pH-universal bifunctional electrocatalyst for OER and ORR10.1016/j.apsusc.2023.158605 ↗
11. Dynamically unveiling metal–nitrogen coordination during thermal activation to design high-efficient atomically dispersed CoN4 active sites10.1002/anie.202017288 ↗
12. Accelerating high-throughput screening of hydrogen peroxide production via DFT and machine learning10.1039/D3TA01859H ↗
13. Why do weak-binding M-N-C why do weak-binding M-N-C single-atom catalysts possess anomalously high oxygen reduction activity?10.1021/jacs.4c16733 ↗
14. Catalytic mechanism of oxygen reduction on two types of CoN-graphene: a density functional study10.1002/er.6570 ↗
15. Exposure engineering of active sites of Co-N-C for efficient oxygen reduction reaction10.1016/j.cej.2025.159449 ↗
16. How the microenvironment dominated by the distance effect to regulate the FeN4 site ORR activity and selectivity?10.1007/s12274-024-6414-y ↗
17. N. Zhang, T. Zhou, M. Chen, H. Feng, R. Yuan, C. a. Zhong, W. Yan, Y. Tian, X. Wu, W. Chu, C. Wu, Y. Xie, High-purity pyrrole-type FeN4 sites as a superior oxygen reduction electrocatalyst, Energy Environ. Sci. 13(1) (2020) 111-118. doi: 10.1039/C9EE03027A.10.1039/C9EE03027A ↗
18. Single-atom dissolution at the MN4/MXene interface and electric field-driven adsorption mechanisms: unraveling catalytic descriptors using machine learning10.1016/j.apsusc.2025.162886 ↗
19. Manipulating the oxygen reduction reaction pathway on Pt-coordinated motifs10.1038/s41467-022-28346-0 ↗
20. Heteroatom sulfur-doping in single-atom Fe-NC catalysts for durable oxygen reduction reaction in both alkaline and acidic media10.1039/D3TA02712K ↗
21. Rational design of heteroatom-doped Fe-N-C single-atom catalysts for oxygen reduction reaction via simple descriptor10.1021/acscatal.4c01377 ↗
22. Constructing asymmetric Fe-Nb diatomic sites to enhance ORR activity and durability10.1021/jacs.4c09642 ↗
23. Mechanistic study of highly active bifunctional double-atom electrocatalysts for oxygen reduction and oxygen evolution reactions10.1021/acs.jpclett.4c02759 ↗
24. Construction of an axial charge transfer channel between single-atom Fe sites and nitrogen-doped carbon supports for boosting oxygen reduction
25. Activating the PdN4 single-atom sites for 4 electron oxygen reduction reaction via axial oxygen ligand modification10.1016/j.cej.2023.145129 ↗
26. Axial chlorination engineering of single-atom nanozyme: Fe-N4Cl catalytic sites for efficient peroxidase-mimicking10.1021/jacs.4c13335 ↗
27. Axial modulation of Fe sites realizing high-performance oxygen reduction reaction of FeN4 catalysts10.1039/D2TA10062B ↗
28. Predicting the stability of single-atom catalysts in electrochemical reactions10.1021/acscatal.3c04801 ↗
29. Computational screening of a single-atom catalyst supported by monolayer Nb2S2C for oxygen reduction reaction
30. Graphitic carbon nitride sheet supported single-atom metal-free photocatalyst for oxygen reduction reaction: a first-principles analysis10.1021/acs.jpclett.1c00421 ↗
31. From porphyrin-like rings to high-density single-atom catalytic sites: unveiling the superiority of p-C2N for bifunctional oxygen electrocatalysis10.1021/acsami.3c15264 ↗
32. Mo cluster support on C2N as a highly-efficient catalyst for electrocatalytic nitrogen reduction reaction10.1002/cphc.202300012 ↗
33. C2N: an excellent catalyst for the hydrogen evolution reaction10.1039/C8CP05022H ↗
34. Charge and spin communication between dual metal single-atom sites on C2N sheets: regulating electronic spin moments of Fe atoms for N2 activation and reduction10.1039/D2TA06574F ↗
35. Structure and electronic properties of C2N/graphene predicted by first-principles calculations10.1039/C5RA26873G ↗
36. Improved transport properties and novel Li diffusion dynamics in van der Waals C2N/graphene heterostructure as anode materials for lithium-ion batteries: a first-principles investigation10.1021/acs.jpcc.8b11044 ↗
37. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
38. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
39. Accurate and simple analytic representation of the electron-gas correlation energy10.1103/PhysRevB.45.13244 ↗
40. Semiempirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗
41. A fast and robust algorithm for Bader decomposition of charge density10.1016/j.commatsci.2005.04.010 ↗
42. Improved grid-based algorithm for Bader charge allocation10.1002/jcc.20575 ↗
43. Electrolysis of water on oxide surfaces
44. DFT studies of dry reforming of methane on Ni catalyst10.1016/j.cattod.2009.08.022 ↗
45. E. R. D. J. III, NIST Computational Chemistry Comparison and Benchmark Database. May 2022; Vol. NIST Standard Reference Database Number 101 Release 22. http://cccbdb.nist.gov/.
46. Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR10.1039/D2SC02625B ↗
47. Transition metal-doped 2D GaN as single-atom electrocatalysts for lithium–sulfur batteries: insights from first-principles calculations10.1021/acsaelm.5c00266 ↗
48. Accelerated intermediate conversion through nickel doping into mesoporous Co-N/C nanopolyhedron for efficient ORR10.1016/j.jechem.2022.04.047 ↗
49. T. Jangjooye Shaldehi, S. Rowshanzamir, K. S. Exner, F. Viñes, F. Illas, Conventional versus unconventional oxygen reduction reaction intermediates on single atom catalysts, ACS Appl. Mater. Interfaces 17(4) (2025) 6450-6459. doi: 10.1021/acsami.4c23082.10.1021/acsami.4c23082 ↗
50. Nitrogen-doped graphene on transition metal substrates as efficient bifunctional catalysts for oxygen reduction and oxygen evolution reactions10.1021/acsami.7b05755 ↗
51. Synergy of dual-atom catalysts deviated from the scaling relationship for oxygen evolution reaction10.1038/s41467-023-40177-1 ↗
52. Unconventional oxygen reduction reaction mechanism and scaling relation on single-atom catalysts10.1021/acscatal.0c00815 ↗
53. Breaking linear scaling relationships in oxygen evolution via dynamic structural regulation of active sites10.1038/s41467-024-55150-9 ↗
54. Universality in oxygen evolution electrocatalysis on oxide surfaces10.1002/cctc.201000397 ↗
55. Why gold is the noblest of all the metals10.1038/376238a0 ↗