论文标题
功能化石墨烯量子点的非线性极化效应
Nonlinear polarization effect of functionalized graphene quantum dots
论文作者
论文摘要
石墨烯量子点（GQD）是石墨烯的纳米级结构，具有量子性能和边缘效应，具有光致发光特性。量子限制的影响和GQD结构性质的差异使其光学特性高度取决于结构的大小。这项研究解释了三维官能化GQD（FGQD）非线性极化特性的一些探索性半经验计算。基于此，线性极化和第一个超极化的计算是通过有限场方法进行的，该方法基于能量和偶极矩的膨胀。结果，FGQD分子主要具有高光学非线性特性，如高\ b {eta}值所示（71至4488 A.U.）。通常，第一个超极化能力与偶极矩具有线性关系。它可能用于第二次谐波显微镜（SHIM）应用。
Graphene quantum dots (GQDs) are nanoscale structures of graphene with quantum properties and edge effects that give photoluminescence properties. The effect of quantum confinement and differences in the nature of GQD structure makes its optical characteristics highly dependent on the size of the structure. This study explains a few exploratory semi empirical calculations of nonlinear polarization properties of functionalized GQD (fGQD) three dimensionally. Based on this, the calculation of the linear polarization and first hyperpolarization was performed by the finite field method, which is based on the expansion of the energy and dipole moment. As a result, the fGQD molecule dominantly has high optical nonlinear properties as indicated by the high \b{eta} values (71 to 4488 a.u.). In general, the first hyperpolarizabilities have a linear relationship with the dipole moments. It was potentially used for the second harmonic imaging microscopy (SHIM) application.
