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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Chun-Jing Liu

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Open access Aug 2026

From Exposed to Encapsulated: Structural Evolution and Enhanced Stability of Sn-Doped Gold Clusters, SnAu n (n = 2–20), Revealed by DFT

A systematic density functional theory (DFT) investigation was conducted to explore the geometric evolution, electronic properties, and relative stability of tin-doped gold clusters SnAun (n = 2–20). The lowest-energy structures were identified using the CALYPSO structure prediction method and refined at the B3PW91/LAN...

Ben-Chao Zhu, Ping-Ji Deng, Lei Bao et al. · 0 citations

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