Tuning Optical Properties of Magic Number Cluster (SiO2)(4)O2H4 by Substitutional Bonding with Gold Atoms
文献类型：期刊论文
| 作者 | Cai, Xiulong1; Zhang, Peng1; Ma, Liuxue1; Zhang, Wenxian1; Ning, Xijing2; Zhao, Li3; Zhuang, Jun1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2009-04-30 |
| 卷号 | 113页码:4889-4894 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp811347c |
| 英文摘要 | By bonding gold atoms to the magic number cluster (SiO2)(4)O2H4, two groups of Au-adsorbed shell-like clusters Au-n(SiO2)(4)O2H4-n (n = 1-4) and Au-n(SiO2)(4)O-2 (n = 5-8) were obtained, and their spectral properties were studied. The ground-state structures of these clusters were optimized by density functional theory, and the results show that in despite of the different numbers and types of the adsorbed Au atoms, the cluster core (SiO2)(4)O-2 of T-d point-group symmetry keeps almost unchanged. The absorption spectra were obtained by time-dependent density functional theory. From one group to the other, an extension of absorption wavelength from the UV-visible to the NIR region was observed, and in each group the absorption strengths vary linearly with the number of An atoms. These features indicate their advantages for exploring novel materials with easily controlled tunable optical properties. Furthermore, due to the weak electronic charge transfer between the Au atoms, the clusters containing Au-2 dimers, especially Au-8(SiO2)(4)O-2, absorb strongly NIR light at 900 similar to 1200 nm. Such strong absorption suggests potential applications of these shell-like clusters in tumor cells thermal therapy, like the gold-coated silica nanoshells with larger sizes. |
| WOS关键词 | DIOXIDE-BASED CLUSTERS ; PHOTOTHERMAL THERAPY ; NANOPARTICLES ; SPECTROSCOPY ; CANCER ; AUO ; SPECTRUM ; TUMORS ; SIO2 |
| 资助项目 | Chinese NSF[10004002] ; National High Performance Computing Center of Fudan University ; Shanghai Supercomputing Center |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000265529800011 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | Chinese NSF ; National High Performance Computing Center of Fudan University ; Shanghai Supercomputing Center |
| 源URL | [http://119.78.100.186/handle/113462/31089]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Zhuang, Jun |
| 作者单位 | 1.Fudan Univ, Dept Opt Sci & Engn, State Key Lab Adv Photon Mat & Devices, Shanghai 200433, Peoples R China 2.Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China 3.Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cai, Xiulong,Zhang, Peng,Ma, Liuxue,et al. Tuning Optical Properties of Magic Number Cluster (SiO2)(4)O2H4 by Substitutional Bonding with Gold Atoms[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2009,113:4889-4894. |
| APA | Cai, Xiulong.,Zhang, Peng.,Ma, Liuxue.,Zhang, Wenxian.,Ning, Xijing.,...&Zhuang, Jun.(2009).Tuning Optical Properties of Magic Number Cluster (SiO2)(4)O2H4 by Substitutional Bonding with Gold Atoms.JOURNAL OF PHYSICAL CHEMISTRY A,113,4889-4894. |
| MLA | Cai, Xiulong,et al."Tuning Optical Properties of Magic Number Cluster (SiO2)(4)O2H4 by Substitutional Bonding with Gold Atoms".JOURNAL OF PHYSICAL CHEMISTRY A 113(2009):4889-4894. |
入库方式： OAI收割
来源：近代物理研究所
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