ABSTRACT

A conjugated semiconductor thin film of 1-((3-(3-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-5-methyl-1H-1,2,4-triazol-1-yl)-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenyl-1H-1,2,3-triazole [4ph-TAzole]^TF was synthesized. The fabricated [4ph-TAzole]^TF thin film with a thickness of 150 ± 3 nm is manufactured by physical vapor deposition technique (PVD) at a low deposition rate with basic pressure of the chamber was 5 × 10⁻⁵ mbar. Using DFT-TDDFT simulation, the structure measurements the energy gap, and optical properties were determined. The obtained DFT-TDDFT data provide good proof for the electronic transition in zero-dimensional [4ph-TAzole]^TF as a single crystal molecule. This study provides valuable information on the nature and sources of defect formation and electronic transition in conductor organic derivate of triazole which opens the way for the application as an optoelectronic device.

摘要

1-((3-(3-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-5-methyl-1H-1,2,4-triazol)的共轭半导体薄膜-1-基)-1-苯基-1H-吡唑-4-基)甲基)-4-苯基-1H-1,2,3-三唑[4ph-TAzole] ^TF被合成。制造的[4ph-TAzole] ^TF薄膜厚度为150±3 nm，通过物理气相沉积技术（PVD）以低沉积速率制造，腔室基本压力为5×10 ^-5  mbar。使用 DFT-TDDFT 模拟，该结构测量了能隙，并确定了光学特性。获得的 DFT-TDDFT 数据为零维 [4ph-TAzole] ^{TF 中}的电子跃迁提供了很好的证据作为单晶分子。该研究提供了有关三唑的导体有机衍生物中缺陷形成和电子跃迁的性质和来源的宝贵信息，为作为光电器件的应用开辟了道路。