Molecular-level insight into photocatalytic CO2 reduction with H2O over Au nanoparticles by interband transitions
Open accessAbstract
Achieving CO 2 reduction with H 2 O on metal photocatalysts and understanding the corresponding mechanisms at the molecular level are challenging. Herein, we report that quantum-sized Au nanoparticles can photocatalytically reduce CO 2 to CO with the help of H 2 O by electron-hole pairs mainly originating from interband transitions. Notably, the Au photocatalyst shows a CO production rate of 4.73 mmol g−1 h−1(~100% selectivity), ~2.5 times the rate during CO 2 reduction with H 2 under the same experimental conditions, under low-intensity irradiation at 420 nm. Theoretical and experimental studies reveal that the increased activity is induced by surface Au–O species formed from H 2 O decomposition, which synchronously optimizes the rate-determining steps in the CO 2 reduction and H 2 O oxidation reactions, lowers the energy barriers for the *CO desorption and *OOH formation, and facilitates CO and O 2 production. Our findings provide an in-depth mechanistic understanding for designing active metal photocatalysts for efficient CO 2 reduction with H 2 O.
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Au species predominantly exist in a purely metallic state in PdPtRhRuAu HEAAs, as substantiated by XPS peaks corresponding solely to zero-valence state.
“With regard to Au species (Figure 2l), it is found that it predominantly exist in a purely metallic state, as substantiated by the observation of characteristic peaks corresponding solely to the zero-valence state in XPS spectrum.[34]”
From Constructing Novel High‐Entropy Alloy Aerogels Platform for pH‐Universal Hydrogen Evolution Reaction with High Electrocatalytic Activity and Stability (2026) · cites this paper as [34]
The Results (Characterizations of the Au NPs) report XPS peaks at 83.6 and 87.2 eV as evidence of metallic Au in the paper’s as-prepared Au nanoparticles. That supports the interpretation of metallic-Au XPS peaks, but the source does not study PdPtRhRuAu HEAAs or establish that their Au peaks correspond solely to zero-valence Au. The Discussion also reports Au+ peaks after irradiation. (LLM, conf=0.88)
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- Authors
- Shangguan, W., Liu, Q., Wang, Y., Sun, N., Liu, Y., Zhao, R., Li, Y., Wang, C., & Zhao, J.
- Affiliations
- Shaanxi University of Science and Technology (CN)
- Chinese Academy of Sciences (CN)
- Zhengzhou University (CN)
- Corresponding author
- Wang, Ying
- Li, Yingxuan
- ORCID
- Venue
- Nature Communications
- Published
- 2022-07-06
- Volume
- 13
- Issue
- 1
- Pages
- 3894-3894
- ISSN
- 2041-1723 (ISSN-L)
- PMC
- PMC9259601
- OpenAlex
- W4284883996
- Cited by
- 332
- References
- 69
- Citations by year
- 2026: 59 · 2025: 101 · 2024: 87 · 2023: 82 · 2022: 3
- FWCI
- 12.29
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Locations
- Nature Communications (publishedVersion, cc-by)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- RePEc: Research Papers in Economics (submittedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- Funders
- National Natural Science Foundation of China (21831003, 21673220, 21972082)
- Department of Science and Technology of Jilin Province (20200201001JC)
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Advanced Photocatalysis Techniques
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Physical Sciences › Chemical Engineering › Catalysis › Catalysts for Methane Reforming
- Keywords
- photocatalytic CO2 reduction, gold nanoparticles, water as electron donor, interband transitions, co-production, water oxidation, CO desorption, OOH intermediate, reaction mechanism
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