The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Active Sites and Mechanisms for Oxygen Reduction Reaction on Nitrogen-Doped Carbon Alloy Catalysts: Stone–Wales Defect and Curvature Effect
Abstract
Carbon alloy catalysts (CACs) are promising oxygen reduction reaction (ORR) catalysts to substitute platinum. However, despite extensive studies on CACs, the reaction sites and mechanisms for ORR are still in controversy. Herein, we present rather general consideration on possible ORR mechanisms for various structures in nitrogen doped CACs based on the first-principles calculations. Our study indicates that only a particular structure of a nitrogen pair doped Stone-Wales defect provides a good active site. The ORR activity of this structure can be tuned by the curvature around the active site, which makes its limiting potential approaching the maximum limiting potential (0.80 V) in the volcano plot for the ORR activity of CACs. The calculated results can be compared with the recent experimental ones of the half-wave potential for CAC systems that range from 0.60 to 0.80 V in the reversible-hydrogen-electrode (RHE) scale.
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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
High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt
Wu, G., More, K. L., Johnston, C. M., & Zelenay, P. (2011) · Science · doi:10.1126/science.1200832 · Cited by 3,984
Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
Greeley, J., Stephens, I. E. L., Bondarenko, A. S., Johansson, T. P., Hansen, H. A., Jaramillo, T. F., Rossmeisl, J., Chorkendorff, I., & Nørskov, J. K. (2009) · Nature Chemistry · doi:10.1038/nchem.367 · Cited by 3,203
Cited by
Su, C., Cheng, H., Li, W., Liu, Z., Li, N., Hou, Z., Bai, F., Zhang, H., & Ma, T. (2017) · Advanced Energy Materials · doi:10.1002/aenm.201602420 · Cited by 834
Self-citationDefects on carbons for electrocatalytic oxygen reduction
Yan, X., Jia, Y., & Yao, X. (2018) · Chemical Society Reviews · doi:10.1039/c7cs00690j · Cited by 593
Zhang, J., & Dai, L. (2015) · ACS Catalysis · doi:10.1021/acscatal.5b01563 · Cited by 590
Chai, G.-L., Qiu, K., Qiao, M., Titirici, M.-M., Shang, C., & Guo, Z. (2017) · Energy & Environmental Science · doi:10.1039/c6ee03446b · Cited by 544
Self-citationHighly active and selective oxygen reduction to H2O2 on boron-doped carbon for high production rates
Xia, Y., Zhao, X., Xia, C., Wu, Z.-Y., Zhu, P., Kim, J. Y., Bai, X., Gao, G., Hu, Y., Zhong, J., et al. (2021) · Nature Communications · doi:10.1038/s41467-021-24329-9 · Cited by 499
Metadata
- Authors
- Chai, G.-L., Hou, Z., Shu, D.-J., Ikeda, T., & Terakura, K.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-09-23
- Volume
- 136
- Issue
- 39
- Pages
- 13629-13640
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2020436181
- Cited by
- 323
- References
- 4
- FWCI
- 8.73
- Type
- journal article
- Language
- en
- Open access
- closed
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