The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4
Abstract
CO 2 electrochemical catalysis is limited by scaling relations due to a d-band theory of transition metals. As a means of breaking the scaling relation, it has recently been reported that hybridizing the d-orbitals of transition metal with p-orbitals of main group elements or using naturally hybridized materials such as metal carbides and nitrides is a promising strategy. In this Letter, by means of density functional theory calculations, we investigate the catalytic properties of TiC, TiN, and single-atom catalysts supported on them for CO 2 electrochemical reduction. In particular, we found that when single transition-metal atoms are inserted into the surface defect sites of TiC, denoted as M@d-TiC (M = Ag, Au, Co, Cu, Fe, Ir, Ni, Os, Pd, Pt, Rh, or Ru), the iridium-doped TiC (Ir@d-TiC) is found to have a remarkably low overpotential of −0.09 V, the lowest value among any catalysts reported in the literature to selectively produce CH 4 (−0.3 ∼ −1.0 V). It is also shown that possible surface protonation reactions on TiC as a side reaction can be ignored because the overpotential (−0.38 V) is significantly larger than that of the CO 2 electrochemical reduction reaction on single-atom catalysts (e.g., −0.09 V). The origin of an extraordinary catalytic activity of Ir@d-TiC is also explained. This work clearly demonstrates the great potential of carbides and single-atom catalysts supported on TiC as active and selective CO 2 reduction catalysts, and perhaps for other electrochemical applications as well.
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Cited by
Zhang, L., Han, L., Liu, H., Liu, X., & Luo, J. (2017) · Angewandte Chemie International Edition · doi:10.1002/anie.201706921 · Cited by 532
Single‐Atom Catalysts of Precious Metals for Electrochemical Reactions
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Jeong, S., Mai, H. D., Nguyen, T. K., Youn, J.-S., Nam, K.-H., Park, C.-M., & Jeon, K.-J. (2021) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2021.120227 · Cited by 44
Metadata
- Authors
- Back, S., & Jung, Y.
- Venue
- ACS Energy Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-04-10
- Volume
- 2
- Issue
- 5
- Pages
- 969-975
- ISSN
- 2380-8195 (ISSN-L)
- OpenAlex
- W2604746963
- Cited by
- 228
- References
- 13
- FWCI
- 6.62
- Type
- journal article
- Language
- en
- Open access
- closed
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- Back, S., & Jung, Y. (2017). TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4. ACS Energy Letters. https://doi.org/10.1021/acsenergylett.7b00152
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