Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au28, Au36, Au44, and Au52 Magic Series
Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au28, Au36, Au44, and Au52 Magic Series
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DOI：
10.1021/jacs.5b12747
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发表时间：
2016-03-30
影响因子：
15
通讯作者：
Jin, Rongchao
中科院分区：
文献类型：
--
作者：
Zeng, Chenjie;Chen, Yuxiang;Jin, Rongchao
揭示金属纳米团簇的周期性（包括分子式、生长模式和性质演化）是金属纳米团簇研究的一个重要课题。然而，对这一重大问题的调查一直很复杂，因为规模的变化往往伴随着结构的变化。在本文中，通过成功确定Au-44（TBBT）（28）结构，其中TBBT = 4-叔丁基苯硫酚，填补了Au-28（TBBT）（20）、Au-3 - 6（TBBT）（24）和Au-52（TBBT）（32）纳米团簇家族中的缺失尺寸，并且鉴定了具有统一式Au 8 n +4（TBBT）（4 n +8）（n = 3-6）的纯“魔术系列”。这种幻数的周期性反映了该幻数序列中均匀的各向异性生长模式，并且n值与面心立方晶格中的（001）层的数量相关。通过经验标度律、经典的“盒子中的粒子”模型和密度泛函理论计算，进一步理解了这个幻数序列的尺寸依赖的量子限制性质。
Revealing the size-dependent periodicities (including formula, growth pattern, and property evolution) is an important task in metal nanocluster research. However, investigation on this major issue has been complicated, as the size change is often accompanied by a structural change. Herein, with the successful determination of the Au-44(TBBT)(28) structure, where TBBT = 4-tert-butylbenzenethiolate, the missing size in the family of Au-28(TBBT)(20), Au-36(TBBT)(24), and Au-52(TBBT)(32) nanoclusters is filled, and a neat "magic series" with a unified formula of Au8n+4(TBBT)(4n+8) (n = 3-6) is identified. Such a periodicity in magic numbers is a reflection of the uniform anisotropic growth patterns in this magic series, and the n value is correlated with the number of (001) layers in the face-centered cubic lattice. The size-dependent quantum confinement nature of this magic series is further understood by empirical scaling law, classical "particle in a box" model, and the density functional theory calculations.