The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study
Abstract
Inspired by the recently discovered highly active CO oxidation catalyst Pt 1 /FeO x [Qiao, B.; Wang, A.; Yang, X.; Allard, L. F.; Jiang, Z.; Cui, Y.; Liu, J.; Li, J.; Zhang, T. Nat. Chem. 2011, 3, 634–641], we systemically examined various single-atom catalysts M 1 /FeO x (M = Au, Rh, Pd, Co, Cu, Ru and Ti) by means of density functional theory (DFT) computations, aiming at developing even more efficient and low-cost nanocatalysts for CO oxidation. Our computations identified five single-atom catalysts, namely the oxygen-defective Rh 1 /FeO x and Pd 1 /FeO x, Ru 1 /FeO x with or without oxygen vacancy, and vacancy-free Ti 1 /FeO x and Co 1 /FeO x, which exhibit improved overall catalytic performance compared to Pt 1 /FeO x for the CO oxidation via a Langmuir–Hinshelwood (LH) mechanism. These theoretical results provide new guidelines to design even more active and/or cost-effective heterogeneous catalysts for CO oxidation.
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Cites
A fast and robust algorithm for Bader decomposition of charge density
Henkelman, G., Arnaldsson, A., & Jónsson, H. (2006) · Computational Materials Science · doi:10.1016/j.commatsci.2005.04.010 · Cited by 10,723
Identification of Active Gold Nanoclusters on Iron Oxide Supports for CO Oxidation
Herzing, A. A., Kiely, C. J., Carley, A. F., Landon, P., & Hutchings, G. J. (2008) · Science · doi:10.1126/science.1159639 · Cited by 1,530
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Catalysis by Supported Single Metal Atoms
Liu, J. (2017) · ACS Catalysis · doi:10.1021/acscatal.6b01534 · Cited by 1,331
High performance platinum single atom electrocatalyst for oxygen reduction reaction
Liu, J., Jiao, M., Lu, L., Barkholtz, H. M., Li, Y., Wang, Y., Jiang, L., Wu, Z., Liu, D.-J., Zhuang, L., et al. (2017) · Nature Communications · doi:10.1038/ncomms15938 · Cited by 772
Self-citationThe Multifaceted Reactivity of Single‐Atom Heterogeneous Catalysts
Mitchell, S., Vorobyeva, E., & Pérez‐Ramírez, J. (2018) · Angewandte Chemie International Edition · doi:10.1002/anie.201806936 · Cited by 348
Sarma, B. B., Maurer, F., Doronkin, D. E., & Grunwaldt, J.-D. (2023) · Chemical Reviews · doi:10.1021/acs.chemrev.2c00495 · Cited by 291
Single‐Atom Catalysts of Precious Metals for Electrochemical Reactions
Kim, J., Kim, H., & Lee, H. (2018) · ChemSusChem · doi:10.1002/cssc.201701306 · Cited by 282
Metadata
- Authors
- Li, F., Li, Y., Zeng, X. C., & Chen, Z.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-12-22
- Volume
- 5
- Issue
- 2
- Pages
- 544-552
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W2322451794
- Cited by
- 248
- References
- 2
- FWCI
- 7.59
- Type
- journal article
- Language
- en
- Open access
- closed
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