The Structural and Electronic Properties of the Ag<sub>5</sub> Atomic Quantum Cluster Interacting with CO<sub>2</sub>, CH<sub>4</sub>, and H<sub>2</sub>O Molecules
Recent advancements in experimental approaches have made it possible to synthesize silver (Ag<sub>5</sub>) atomic quantum clusters (AQCs), which have shown a great potential in photocatalysis. This study employs the generalized gradient approximation (GGA) density functional theory (DFT)...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2023-12-01
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Series: | Crystals |
Subjects: | |
Online Access: | https://www.mdpi.com/2073-4352/13/12/1691 |