.Chang Hong Yao

Dr. .Chang Hong Yao

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Research Focus & Metrics

Academic Career Length

5Years (2022-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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20 March 2025 in Molecules
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.Y.Chang Hong Yao
.Chang Hong Yao
MWMeijiao Wang
Meijiao Wang
LCLianzhen Cao
Lianzhen Cao
The low-lying energy structures of small planar aluminum clusters Aln (n = 3–6, 8–10), hydrogenated small planar aluminum clusters AlnHm (n = 3–8, m = 1–2) and the lowest-energy structure of AlnHm (n = 6–10, m = 0–2) are determined by density functional theory (DFT) calculations. Many stable planar structures have been found; some are consistent with the reported ones, and some are new configurations. The preservation of planar cluster structures has been observed during the dissociative adsorption of H2.Hydrogen is adsorbed at different positions on planar aluminum clusters. Dissociative adsorption configurations of the planar structure and lowest-energy structure experienced a decrease in hydrogen adsorption energy with an increase in cluster size. Among the clusters we calculated, Al4H1 and Al4H2 have the highest HOMO-LUMO gap, indicating that they may be more abundant than other clusters. The geometric structure and electronic properties of these clusters are also discussed.

11 September 2022 in Theoretical Chemistry Accounts
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.Y.Chang Hong Yao
.Chang Hong Yao
YLYing De Li
Ying De Li