Nanocrystalline zinc peroxide (nano-ZnO₂) was synthesized through a hydrothermal process and comprehensively studied using several experimental techniques. Its crystal structure was characterized by X-ray diffraction, and the average crystallite size of 22 nm was estimated by Rietveld refinement. The temperature-dependent local environment around zinc atoms was reconstructed using reverse Monte Carlo (RMC) analysis from the Zn K-edge X-ray absorption spectra. The indirect band gap of about 4.6 eV was found using optical absorption spectroscopy. Lattice dynamics of nano-ZnO₂ was studied by infrared and Raman spectroscopy. In situ Raman measurements indicate the stability of nano-ZnO₂ up to 250 °C above which it decomposes into ZnO and O₂. The obtained experimental results were supported by first-principles density functional theory (DFT) calculations.

纳米晶过氧化锌（纳米ZnO ₂）是通过水热法合成的，并使用多种实验技术进行了综合研究。其晶体结构通过 X 射线衍射表征，平均晶粒尺寸为 22 nm，通过 Rietveld 细化估计。使用反向蒙特卡罗 (RMC) 分析从 Zn K 边缘 X 射线吸收光谱重建锌原子周围的温度相关局部环境。使用光吸收光谱发现约 4.6 eV 的间接带隙。通过红外和拉曼光谱研究了纳米ZnO _{2 的}晶格动力学。原位拉曼测量表明纳米 ZnO ₂的稳定性最高可达 250 °C，高于此温度会分解成 ZnO 和 O ₂。获得的实验结果得到了第一性原理密度泛函理论 (DFT) 计算的支持。