Synthesis of highly pure YbMnO₃ nanostructures was carried out in this study using the electrochemical method. A variety of mechanical features consisting of the particles’ size, strain as well as lattice constant, could be achieved through Nelson-Riley functions, Scherrer's equation, Williamson-Hall techniques, after which their comparison with computational as well as XRD data was performed. The use of full potential periodic density functional theory aimed at deriving comprehensive structural as well as electronic information on the YbMnO₃ crystals. Employment of revised Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional aimed at bulk structure relaxation while the total post-processing estimations, including band structure and density of state (DOS), have been carried out using HSE technique. In the next step, POAP electro-polymerization was used while YbMnO₃ nanoparticles were present to prepare the hybrid POAP/ YbMnO₃ films, as active materials in energy storage devices, and subsequently improve the POAP film's electrochemical performance. Furthermore, a fabricated POAP/ YbMnO₃ can deliver an excellent maximum energy density, considerable power density and higher cycling stability (91% capacitance retention following 3000 cycles test at high current density), indicating the significant likelihood for practical usage in energy storage and conversion systems.

在这项研究中，采用电化学方法进行了高纯度YbMnO ₃纳米结构的合成。可以通过Nelson-Riley函数，Scherrer方程，Williamson-Hall技术获得由颗粒大小，应变以及晶格常数组成的各种机械特征，然后将它们与计算数据和XRD数据进行比较。利用全势周期密度泛函理论来推导有关YbMnO _3的综合结构以及电子信息晶体。修正后的Perdew-Burke-Ernzerhof（PBE）交换相关函数的使用旨在松散整体结构，同时使用HSE技术进行了整个后处理估算，包括能带结构和状态密度（DOS）。在下一步中，当存在YbMnO ₃纳米粒子时，使用POAP电聚合来制备杂化的POAP / YbMnO ₃膜，作为储能装置中的活性材料，并随后改善POAP膜的电化学性能。此外，制造的POAP / YbMnO ₃ 可以提供出色的最大能量密度，可观的功率密度和更高的循环稳定性（在高电流密度下进行3000次循环测试后，电容保持率为91％），这表明在能量存储和转换系统中实际使用的可能性很大。