Atomic-Level Structural and Electronic Properties of Hybrid Inorganic-Organic ZnO:Hydroquinone Superlattices Fabricated by ALD/MLD
Atomic-Level Structural and Electronic Properties of Hybrid Inorganic-Organic ZnO:Hydroquinone Superlattices Fabricated by ALD/MLD
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DOI：
10.1021/acs.jpcc.5b03433
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发表时间：
2015-06-11
影响因子：
3.7
通讯作者：
Karppinen, Maarit
中科院分区：
文献类型：
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作者：
Karttunen, Antti J.;Tynell, Tommi;Karppinen, Maarit
我们研究了结晶ZnO：氢醌（HQ）超晶格生长层由原子/分子层沉积（ALD/MLD）技术相结合的层，这样的ALD/MLD层工程无机-有机薄膜形成一个全新的类别的功能相干混合材料，不能通过任何其他现有的技术制备。使用量子化学方法，我们推导出原子级的ZnO：HQ超晶格的结构模型，并研究其结构，光谱和电子特性。通过比较我们的实验数据的理论结果，我们提供了一个详细的解释实验测得的红外光谱，证明在晶体ZnO：HQ超晶格的有机界面的存在。此外，我们展示了如何可以定制的混合材料的能带结构的简单和实验上可行的修改的有机成分。ZnO：HQ超晶格的能带结构工程的指导方针应该是有价值的ALD/MLD生长的无机-有机超晶格和纳米层压材料的功能特性的系统增强和开发一般。
We investigated crystalline ZnO:hydroquinone (HQ) superlattices grown layer-by-layer by the combined atomic/molecular layer deposition (ALD/MLD) technique; such ALD/MLD layer-engineered inorganic-organic thin films form a fundamentally new category of functional coherent hybrid materials that cannot be prepared by any other existing technique. Using quantum chemical methods, we derive atomic-level structural models for the ZnO:HQ superlattices and investigate their structural, spectroscopic, and electronic properties. By comparing the theoretical results with our experimental data we provide a detailed interpretation of experimentally measured infrared spectra, proving the presence of organic interfaces within the crystalline ZnO:HQ superlattices. We moreover show how the band structure of the hybrid material can be tailored by simple and experimentally feasible modifications of the organic constituent. The guidelines for the band-structure engineering of ZnO:HQ superlattices should be valuable for the systematic enhancement and exploitation of the functional properties of ALD/MLD-grown inorganic-organic superlattices and nanolaminates in general.