The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Design Principles for Covalent Organic Frameworks as Efficient Electrocatalysts in Clean Energy Conversion and Green Oxidizer Production
Abstract
Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF‐based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal‐air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first‐principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline‐earth metal‐porphyrin COFs could catalyze the direct production of H 2 O 2, a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production.
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Cites
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Man, I. C., Su, H., Calle‐Vallejo, F., Hansen, H. A., Martínez, J. I., Inoglu, N. G., Kitchin, J., Jaramillo, T. F., Nørskov, J. K., & Rossmeisl, J. (2011) · ChemCatChem · doi:10.1002/cctc.201000397 · Cited by 4,769
Cited by
Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors
Zhao, Z.-J., Liu, S., Zha, S., Cheng, D., Studt, F., Henkelman, G., & Gong, J. (2019) · Nature Reviews Materials · doi:10.1038/s41578-019-0152-x · Cited by 657
Self-citationChiral covalent organic frameworks: design, synthesis and property
Han, X., Yuan, C., Hou, B., Liu, L., Li, H., Liu, Y., & Cui, Y. (2020) · Chemical Society Reviews · doi:10.1039/d0cs00009d · Cited by 478
Computational chemistry for water-splitting electrocatalysis
Miao, L., Jia, W., Cao, X., & Jiao, L. (2024) · Chemical Society Reviews · doi:10.1039/d2cs01068b · Cited by 241
Metadata
- Authors
- Lin, C., Zhang, L., Zhao, Z., & Xia, Z.
- Venue
- Advanced Materials
- Publisher
- Wiley
- Published
- 2017-02-23
- Volume
- 29
- Issue
- 17
- ISSN
- 0935-9648 (ISSN-L)
- 1521-4095
- OpenAlex
- W2591409535
- Cited by
- 241
- References
- 2
- FWCI
- 5.27
- Type
- journal article
- Language
- en
- Open access
- closed
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- Lin, C., Zhang, L., Zhao, Z., & Xia, Z. (2017). Design Principles for Covalent Organic Frameworks as Efficient Electrocatalysts in Clean Energy Conversion and Green Oxidizer Production. Advanced Materials. https://doi.org/10.1002/adma.201606635
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