Detecting Semiconductor Nanoplatelets with Distinctive Crystal Structures and Thickness by Magnetic Circular Dichroism

Detecting Semiconductor Nanoplatelets with Distinctive Crystal Structures and Thickness by Magnetic Circular Dichroism
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通过磁圆二色性检测具有独特晶体结构和厚度的半导体纳米片

DOI:
10.1021/acs.jpcc.9b09108
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发表时间:
2019-11
影响因子:
3.7
通讯作者:
Gao Xiaoqing
Gao Xiaoqing
中科院分区:
化学3区
文献类型:
--
作者:
Zhang Yadong;Zhang Xiuwen;Gao Xiaoqing

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具有原子厚度的CdSe纳米片(NPLs)由于其潜在的应用以及有趣的物理和化学性质而受到广泛的关注。已知CdSe NPL具有纤锌矿(WZ)和锌锌矿(ZB)两种晶体结构,但对其精细电子结构差异的研究很少。在此,使用磁性圆二色性(MCD)来揭示WZ-和ZB-CdSe NPL的精细结构,根据考虑来自两项的贡献的MCD线形的分析,即,由Se 4p轨道的p±态贡献最大的A项和取决于p 0态的B项。实验和密度泛函理论都表明,WZ和ZB NPL的p0和p±的独特分量导致了从MCD谱导出的显著不同的g因子(WZ vs ZB中为3.45 vs 1.93)。此外,g因子在ZB不良贷款中的下降趋势(从1.93到1.52,然后到1.42)也与不良贷款的性质有关。
CdSe nanoplatelets (NPLs) with an atomic thickness have gotten vast attention due to their potential applications as well as interesting physical and chemical properties. It is known that CdSe NPLs have two types of crystal structures, namely, wurtzite (WZ) and zincblende (ZB); however, the research on the difference between their fine electronic structures is rare. Here, magnetic circular dichroism (MCD) is used to reveal the fine structures of WZ- and ZB-CdSe NPLs, in light of the analysis of the MCD line shape considering contributions from two terms, that is, the A term that is most contributed by p± states of the Se 4p orbital and the B term that depends on the p0 state. Both the experiment and density functional theory demonstrate that the distinctive components of p0 and p± of WZ and ZB NPLs lead to the significantly different g-factors (3.45 vs 1.93 in WZ vs ZB) as derived from the MCD spectrum. Furthermore, the decreased tendency of the g-factor (from 1.93 to 1.52, then to 1.42) in the ZB NPLs wi...
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