Balambiga Balu, Devibala Paneerselvam, Imran Predhanekar Mohamed, Bhuvanesh Nattamai S P, Nagarajan Samuthira
Organic Electronics Division, Department of Chemistry, Central University of Tamil Nadu, Thiruvarur, 610 005, India.
Department of Chemistry, Islamiah College, Vaniyambadi, 635 752, India.
Chemphyschem. 2022 Dec 5;23(23):e202200350. doi: 10.1002/cphc.202200350. Epub 2022 Sep 6.
New arylacetylene end-capped alkoxyphenanthrenes were synthesized and demonstrated as the best active layer for solution-processable p-channel organic field-effect transistors. The alkoxy chain embedded compounds exhibited enhanced solubility and induced non-covalent interactions resulting in effective molecular packing. The 'Lewis soft' heteroatoms direct the most stable conformation with dihedral angles possible for molecular interactions, and energy levels. DFT studies supported the fine-tuning of FMOs, with high HOMO levels ∼-5.2 eV ensuring a low barrier for charge injection. OFET devices exhibited a maximum charge carrier mobility up to 1.30 cm /Vs with the highest ON/OFF ratio of 10 . The strong π-π interactions and the crystallinity of the films are well supported by GIXRD and SEM analysis.
合成了新型芳基乙炔封端的烷氧基菲,并证明其是可溶液加工的p沟道有机场效应晶体管的最佳活性层。嵌入烷氧基链的化合物表现出增强的溶解性,并诱导非共价相互作用,从而实现有效的分子堆积。“路易斯软”杂原子引导最稳定的构象,其具有分子相互作用和能级可能的二面角。密度泛函理论(DFT)研究支持了前线分子轨道(FMO)的微调,高的最高占据分子轨道(HOMO)能级约为-5.2 eV确保了低的电荷注入势垒。有机场效应晶体管(OFET)器件表现出高达1.30 cm²/Vs的最大电荷载流子迁移率,最高开/关比为10⁶。掠入射X射线衍射(GIXRD)和扫描电子显微镜(SEM)分析很好地证实了薄膜中强烈的π-π相互作用和结晶度。