薄膜表面电子密度分布的计算

2015 International Conference "Stability and Control Processes" in Memory of V.I. Zubov (SCP) Pub Date : 2015-12-03 DOI:10.1109/SCP.2015.7342095

V. Trofimov, M. Bedrina

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引用次数: 0

摘要

研究了石墨烯、卟啉、铜和酞菁锌的单层膜体系。对于所有的系统平衡几何被发现，所有的结构是平的，除了氯取代的铜酞菁。薄膜结构的DFT建模在解释全息显微镜得到的结果时起到了实质性的促进作用。

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Calculation of distribution of electron density on surface of thin films

Systems of monolayer films of graphene, porthyrin, copper and zinc phthalocyanine are investigated. For all systems equilibrium geometries are found, all structures are flat, except for a chlorine-replaced copper phthalocyanine. DFT modeling of the structure of thin films is performed as substantially promotion in interpretation of the results received by means of a holographic microscope.

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2015 International Conference "Stability and Control Processes" in Memory of V.I. Zubov (SCP)

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