Data · dataset · 2026
From Peripheral Ag Sites to an Ag-Based Framework: Regulating CO<sub>2</sub> Electroreduction Selectivity and Stability in V–Ag Nanoclusters
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Atomically precise heterometallic nanoclusters offer molecular platforms for correlating metal-site organization with electrocatalytic behavior, yet how structural architecture simultaneously controls reaction pathways and catalyst durability remains unclear.
Description
Herein, we demonstrate a divergent assembly of two V–Ag nanoclusters with contrasting framework organizations, enabled by polyoxovanadate-supported Ag<sup>+</sup> coordination and thiacalix[4]arene-directed assembly. <b>V</b><sub><b>18</b></sub><b>Ag</b><sub><b>8</b></sub> contains peripheral Ag<sup>+</sup> sites anchored on a polyoxovanadate scaffold, whereas <b>Ag</b><sub><b>22</b></sub><b>V</b><sub><b>8</b></sub> features an integrated Ag-based framework incorporating vanadium–oxo units. <b>V</b><sub><b>18</b></sub><b>Ag</b><sub><b>8</b></sub> strongly favors CO formation, reaching a maximum CO Faradaic efficiency of 94.51% at −1.0 V versus RHE, but undergoes pronounced deactivation during prolonged electrolysis, accompanied by loss of CO selectivity and increasing H<sub>2</sub> evolution.
In contrast, <b>Ag</b><sub><b>22</b></sub><b>V</b><sub><b>8</b></sub> markedly enhances the competing formate pathway, delivering formate Faradaic efficiencies above 20% and a maximum of approximately 30%. Mass spectrometry and postelectrolysis characterizations attribute these differences to the lability of surface-anchored Ag sites in <b>V</b><sub><b>18</b></sub><b>Ag</b><sub><b>8</b></sub> and the greater integrity of the integrated Ag framework in <b>Ag</b><sub><b>22</b></sub><b>V</b><sub><b>8</b></sub>.
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In situ infrared spectroscopy and DFT calculations further reveal that <b>V</b><sub><b>18</b></sub><b>Ag</b><sub><b>8</b></sub> predominantly follows the *COOH–*CO pathway, whereas <b>Ag</b><sub><b>22</b></sub><b>V</b><sub><b>8</b></sub> enables concurrent *COOH- and *OCHO-mediated routes. These results highlight framework-level Ag-site organization as an important structural parameter for jointly regulating CO<sub>2</sub>RR selectivity and catalytic durability.
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Where it is published
- DOI doi.org/10.1021/acs.inorgchem.6c03668.s001 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
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Topics
- From keywords
- Bioinformatics and computational biology · Cancer · Chemistry · Earth & Environmental Science · Evolutionary biology · Genetics · Infectious diseases · Life Sciences · Mass spectrometry · Medicine & Health · Social Science · Sociology
- Inferred from text
- Density functional theory 65%
Provenance · 1 source records, 18 field assertions
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|---|---|---|---|
| ZivaHub | oai:figshare.com:article/34018426 | 12 d ago | JSON v1 |
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