A graphene aerogel cross-linked by p-phenylenediamine (PPDA) composite with Sm₂O₃ nanoparticles (AP.Sm) was synthesized as a novel nanocomposite via a one-step hydrothermal method. PPDA, as a spacer, provided a large surface area by reducing the adhesion of graphene ultrathin sheets. It also functioned as a source of nitrogen. Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) were performed for structural characterization. The resulting nanocomposite was then investigated for its supercapacitive behavior using electrochemical techniques. As the results confirmed, the cross-linked structure of the nanocomposite effectively promoted its supercapacitive function at 6 M KOH. The specific capacitance of the nanocomposite electrode reached 591 F/g at 5 mV/s, and decreased by only 7.3% after 4000 cyclic voltammetry (CV) cycles. The AP.Sm electrode increased the energy density to as high as 55 Wh/Kg. Owing to its unique structure, the fabricated aerogel can be recommended for broad use in numerous applications. In addition, theoretical calculations for the graphene oxide (GO) and modified GO structure and frontier molecular orbital (FMO) analysis was carried out using the Austin Model 1 (AM1) method and density functional of theory (DFT). The calculated HOMO–LUMO energy gap and thermochemical energies indicated good agreement with the experimentally investigated data for compounds.

对苯二胺（PPDA）复合材料与Sm ₂ O ₃交联的石墨烯气凝胶通过一步水热法合成了一种新型的纳米复合材料。PPDA作为隔离物，通过减少石墨烯超薄片的粘附力提供了较大的表面积。它还起着氮源的作用。进行扫描电子显微镜（SEM），X射线光电子能谱（XPS）和X射线衍射（XRD）进行结构表征。然后使用电化学技术研究所得纳米复合材料的超电容性能。结果证实，纳米复合材料的交联结构有效地促进了其在6 M KOH下的超电容功能。纳米复合电极的比电容在5 mV / s时达到591 F / g，在4000循环伏安（CV）循环后仅下降7.3％。AP。m电极将能量密度提高到55 Wh / Kg。由于其独特的结构，可推荐将制成的气凝胶广泛用于许多应用中。此外，使用Austin Model 1（AM1）方法和理论密度泛函（DFT）对氧化石墨烯（GO）和修饰的GO结构以及前沿分子轨道（FMO）分析进行了理论计算。计算出的HOMO-LUMO能隙和热化学能表明与化合物的实验研究数据吻合良好。使用Austin Model 1（AM1）方法和理论密度泛函（DFT）对氧化石墨烯（GO）和修饰的GO结构以及前沿分子轨道（FMO）分析进行了理论计算。计算出的HOMO-LUMO能隙和热化学能表明与化合物的实验研究数据吻合良好。使用Austin Model 1（AM1）方法和理论密度泛函（DFT）对氧化石墨烯（GO）和修饰的GO结构以及前沿分子轨道（FMO）分析进行了理论计算。计算出的HOMO-LUMO能隙和热化学能表明与化合物的实验研究数据吻合良好。