The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Reaction Mechanisms of Well‐Defined Metal–N4 Sites in Electrocatalytic CO2 Reduction
Abstract
Electrocatalytic CO 2 reduction to CO emerges as a potential route of utilizing emitted CO 2. Metal‐N‐C hybrid structures have shown unique activities, however, the active centers and reaction mechanisms remain unclear because of the ambiguity in true atomic structures for the prepared catalysts. Herein, combining density‐functional theory calculations and experimental studies, the reaction mechanisms for well‐defined metal–N 4 sites were explored using metal phthalocyanines as model catalysts. The theoretical calculations reveal that cobalt phthalocyanine exhibits the optimum activity for CO 2 reduction to CO because of the moderate *CO binding energy at the Co site, which accommodates the *COOH formation and the *CO desorption. It is further confirmed by experimental studies, where cobalt phthalocyanine delivers the best performance, with a maximal CO Faradaic efficiency reaching 99 %, and maintains stable performance for over 60 hours.
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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
CO 2 electroreduction to ethylene via hydroxide-mediated copper catalysis at an abrupt interface
Dinh, C.-T., Burdyny, T., Kibria, M. G., Seifitokaldani, A., Gabardo, C. M., García de Arquer, F. P., Kiani, A., Edwards, J. P., De Luna, P., Bushuyev, O. S., et al. (2018) · Science · doi:10.1126/science.aas9100 · Cited by 2,515
Atomically dispersed Ni(i) as the active site for electrochemical CO2 reduction
Yang, H. B., Hung, S.-F., Liu, S., Yuan, K., Miao, S., Zhang, L., Huang, X., Wang, H.-Y., Cai, W., Chen, R., et al. (2018) · Nature Energy · doi:10.1038/s41560-017-0078-8 · Cited by 2,239
Activity Descriptors for CO 2 Electroreduction to Methane on Transition-Metal Catalysts
Peterson, A. A., & Nørskov, J. K. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz201461p · Cited by 1,667
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Domino electroreduction of CO2 to methanol on a molecular catalyst
Wu, Y., Jiang, Z., Lu, X., Liang, Y., & Wang, H. (2019) · Nature · doi:10.1038/s41586-019-1760-8 · Cited by 1,194
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Emerging Dual‐Atomic‐Site Catalysts for Efficient Energy Catalysis
Zhang, W., Chao, Y., Zhang, W., Zhou, J., Lv, F., Wang, K., Lin, F., Luo, H., Li, J., Tong, M., et al. (2021) · Advanced Materials · doi:10.1002/adma.202102576 · Cited by 528
Electrocatalytic reduction of carbon dioxide: opportunities with heterogeneous molecular catalysts
Sun, L., Reddu, V., Fisher, A. C., & Wang, X. (2020) · Energy & Environmental Science · doi:10.1039/c9ee03660a · Cited by 452
Jiao, L., Yang, W., Wan, G., Zhang, R., Zheng, X., Zhou, H., Yu, S., & Jiang, H. (2020) · Angewandte Chemie International Edition · doi:10.1002/anie.202008787 · Cited by 412
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Metadata
- Authors
- Zhang, Z., Xiao, J., Chen, X., Yu, S., Yu, L., Si, R., Wang, Y., Wang, S., Meng, X., Wang, Y., Tian, Z., & Deng, D.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2018-11-11
- Volume
- 57
- Issue
- 50
- Pages
- 16339-16342
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2895819610
- Cited by
- 436
- References
- 4
- FWCI
- 10.75
- Type
- journal article
- Language
- en
- Open access
- closed
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- Zhang, Z., Xiao, J., Chen, X., Yu, S., Yu, L., Si, R., Wang, Y., Wang, S., Meng, X., Wang, Y., Tian, Z., & Deng, D. (2018). Reaction Mechanisms of Well‐Defined Metal–N4 Sites in Electrocatalytic CO2 Reduction. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201808593
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