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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study
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Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

机译:理解供体-受体/金属系统中的电荷转移:理论与实验相结合的研究

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摘要

We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor— acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and X-ray photoemissiori spectroscopy (XPS) measurements of the core-level shifts for three different monolayers adsorbed on a Ag substrate. Specifically, we consider perfluorinated pentacene (PFP), copper phthalocyanine (CuPc), and their 1:1 mixture (PFP+CuPc) adsorbed on Ag(111).
机译:我们开发了一种有效的潜在方法,用于评估基于核能级转换的二维供体(受体/金属网络)中的电荷流动。为此,我们执行了密度泛函理论(DFT)计算和X射线光电子能谱(XPS)测量,测量了吸附在Ag衬底上的三个不同单层膜的核能级位移。具体来说,我们考虑将全氟并五苯(PFP),酞菁铜(CuPc)及其1:1混合物(PFP + CuPc)吸附在Ag(111)上。

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