Sánchez Vergara María Elena, Cantera Cantera Luis Alberto, Rios Citlalli, Salcedo Roberto, Lozada Flores Octavio, Dutt Ateet
Facultad de Ingeniería, Universidad Anáhuac México, Avenida Universidad Anáhuac 46, Col. Lomas Anáhuac, Huixquilucan 52786, Estado de México, Mexico.
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n. C.U., Mexico City 04510, Mexico.
Sensors (Basel). 2023 Sep 6;23(18):7708. doi: 10.3390/s23187708.
In the present work, we have investigated an organic semiconductor based on tris(8-hydroxyquinoline) aluminum (AlQ) doped with tetracyanoquinodimethane (TCNQ), which can be used as an organic photoconductor. DFT calculations were carried out to optimize the structure of semiconductor species and to obtain related constants in order to compare experimental and theoretical results. Subsequently, AlQ-TCNQ films with polypyrrole (Ppy) matrix were fabricated, and they were morphologically and mechanically characterized by Scanning Electron Microscopy, X-ray diffraction and Atomic Force Microscopy techniques. The maximum stress for the film is 8.66 MPa, and the Knoop hardness is 0.0311. The optical behavior of the film was also analyzed, and the optical properties were found to exhibit two indirect transitions at 2.58 and 3.06 eV. Additionally, photoluminescence measurements were carried out and the film showed an intense visible emission in the visible region. Finally, a photoconductor was fabricated and electrically characterized. Applying a cubic spline approximation to fit cubic polynomials to the J-V curves, the ohmic to SCLC transition voltage VON and the trap-filled-limit voltage VTFL for the device were obtained. Then, the free carrier density and trap density for the device were approximated to n0=4.4586×10191m3 and Nt=3.1333×10311m3, respectively.
在本工作中，我们研究了一种基于掺杂四氰基对苯二醌二甲烷（TCNQ）的三（8-羟基喹啉）铝（AlQ）的有机半导体，其可用作有机光电导体。进行了密度泛函理论（DFT）计算以优化半导体物种的结构并获得相关常数，以便比较实验和理论结果。随后，制备了具有聚吡咯（Ppy）基质的AlQ-TCNQ薄膜，并通过扫描电子显微镜、X射线衍射和原子力显微镜技术对其进行了形态和力学表征。该薄膜的最大应力为8.66 MPa，努氏硬度为0.0311。还分析了薄膜的光学行为，发现其光学性质在2.58和3.06 eV处呈现两个间接跃迁。此外，进行了光致发光测量，该薄膜在可见光区域显示出强烈的可见光发射。最后，制备了一种光电导体并对其进行了电学表征。应用三次样条逼近法将三次多项式拟合到J-V曲线，得到了该器件的欧姆到空间电荷限制电流（SCLC）转变电压VON和陷阱填充极限电压VTFL。然后，该器件的自由载流子密度和陷阱密度分别近似为n0 = 4.4586×10^19 1/m³和Nt = 3.1333×10^31 1/m³。
