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241106s2025 xx |||||o 00| ||eng c |
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|a 10.1002/adma.202412299
|2 doi
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|a pubmed25n1265.xml
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|a (DE-627)NLM379885263
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|a eng
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| 100 |
1 |
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|a Yang, Xiaonan
|e verfasserin
|4 aut
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|a Constructing an Active Sulfur-Vacancy-Rich Surface for Selective *CH3-CH3 Coupling in CO2-to-C2H6 Conversion With 92% Selectivity
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|c 2025
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Revised 08.01.2025
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2024 Wiley‐VCH GmbH.
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|a To achieve high selectivity in photocatalytic CO2 reduction to C2+ products, increasing the number of CO2 adsorption sites and lowering the energy barriers for key intermediates are critical. A ZnIn2S4 (ZIS)/MoO3-x (Z-M) photocatalyst is presented, in which plasmonic MoO3-x generates hot electrons, creating a multielectron environment in ZIS that facilitates efficient C─C coupling reactions. Density functional theory (DFT) calculations reveal that MoO3-x reduces the formation energy of sulfur vacancies (SV) in ZIS, thereby enhancing CO2 adsorption and activation. The SV-rich surface lowers the energy barrier for forming HCOO* to -0.33 eV whereas the energy barrier for forming *COOH is 0.77 eV. Successive hydrogenation of HCOO* leads to *CH2, which converts to *CH3 with an energy barrier of -0.63 eV. The energy barrier for *CH3-CH3 coupling is 0.54 eV, which is lower than the 0.73 eV for *CH2-CH2 coupling to form *C2H4. Thus, Z-M preferentially produces C2H6 over C2H4. Under visible light, Z-M achieves a CO2-to-C2H6 conversion rate of 467.3 µmol g-1 h-1 with 92.0% selectivity. This work highlights the dual role of plasmonic photocatalysts in enhancing CO2 adsorption and improving C2+ production in CO2 reduction
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|a Journal Article
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|a *CH3‐CH3 coupling
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|a S vacancies
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|a ethane
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|a photocatalytic CO2 reduction reaction
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1 |
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|a Ren, Liteng
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Chen, Zhiheng
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Li, Huiquan
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Yuan, Yupeng
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 37(2025), 1 vom: 06. Jan., Seite e2412299
|w (DE-627)NLM098206397
|x 1521-4095
|7 nnas
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| 773 |
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|g volume:37
|g year:2025
|g number:1
|g day:06
|g month:01
|g pages:e2412299
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|u http://dx.doi.org/10.1002/adma.202412299
|3 Volltext
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