The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Theory-Driven Design and Targeting Synthesis of a Highly-Conjugated Basal-Plane 2D Covalent Organic Framework for Metal-Free Electrocatalytic OER
Abstract
It is a great challenge to obtain oriented design and synthesis of new two-dimensional covalent organic frameworks (2D-COFs) with proper CN stoichiometry, N position, and band structures as specific electrocatalysts. Driven by density functional theory (DFT) calculations, we designed and synthesized a new phenazine-linked 2D-COF (COF-C 4 N) by solvothermal reaction of triphenylenehexamine (TPHA) and hexaketocyclohexane (HKH). Structural analysis confirmed that COF-C 4 N possesses an ordered crystalline structure with a highly conjugated basal plane and better stability. COF-C 4 N exhibited OER performance with a low overpotential of 349 mV at 10 mA cm –2 and a Tafel slope of 64 mV dec –1 . A combination of theoretical and experimental studies revealed that better OER performance is attributed to better crystallinity and stability, an appropriate band gap, and an N position that promotes the formation of C active sites around N atoms. The strategy of theory-driven design and targeting synthesis of 2D-COFs for OER may provide a new way to further develop metal-free materials for clean energy application.
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Cites
Combining theory and experiment in electrocatalysis: Insights into materials design
Seh, Z. W., Kibsgaard, J., Dickens, C. F., Chorkendorff, I., Nørskov, J. K., & Jaramillo, T. F. (2017) · Science · doi:10.1126/science.aad4998 · Cited by 12,114
Noble metal-free hydrogen evolution catalysts for water splitting
Zou, X., & Zhang, Y. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00448e · Cited by 5,955
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
Hong, W. T., Risch, M., Stoerzinger, K. A., Grimaud, A., Suntivich, J., & Shao-Horn, Y. (2015) · Energy & Environmental Science · doi:10.1039/c4ee03869j · Cited by 2,089
Cited by
Liu, R., Tan, K. T., Gong, Y., Chen, Y., Li, Z., Xie, S., He, T., Lu, Z., Yang, H., & Jiang, D. (2021) · Chemical Society Reviews · doi:10.1039/d0cs00620c · Cited by 1,083
Li, L., Cao, X., Huo, J., Qu, J., Chen, W., Liu, C., Zhao, Y., Liu, H., & Wang, G. (2023) · Journal of Energy Chemistry · doi:10.1016/j.jechem.2022.09.022 · Cited by 404
A review on machine learning-guided design of energy materials
Kim, S., Xu, J., Shang, W., Xu, Z., Lee, E., & Luo, T. (2024) · Progress in Energy · doi:10.1088/2516-1083/ad7220 · Cited by 19
Metadata
- Authors
- Yang, C., Yang, Z.-D., Dong, H., Sun, N., Lu, Y., Zhang, F.-M., & Zhang, G.
- Venue
- ACS Energy Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2019-08-26
- Volume
- 4
- Issue
- 9
- Pages
- 2251-2258
- ISSN
- 2380-8195 (ISSN-L)
- OpenAlex
- W2970781909
- Cited by
- 214
- References
- 3
- FWCI
- 3.92
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Theory-Driven Design and Targeting Synthesis of a Highly-Conjugated Basal-Plane 2D Covalent Organic Framework for Metal-Free Electrocatalytic OER. https://app.cochat.ai/papers/10.1021/acsenergylett.9b01691
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- Yang, C., Yang, Z.-D., Dong, H., Sun, N., Lu, Y., Zhang, F.-M., & Zhang, G. (2019). Theory-Driven Design and Targeting Synthesis of a Highly-Conjugated Basal-Plane 2D Covalent Organic Framework for Metal-Free Electrocatalytic OER. ACS Energy Letters. https://doi.org/10.1021/acsenergylett.9b01691
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