Abstract Reduced graphene oxide (rGO) is a graphene-like material that exhibits high productivity for a wide range of industrial applications. To promote the application of rGO, it is important to not only produce high-quality rGO but also precisely evaluate the output. The intensity ratio of the D to G band in the Raman scattering is commonly used to assess the defect density of the carbon materials; however, this ratio is limited to evaluate the reduction degree of rGO because of the ambiguity arising from the superposition of the bands. In this study, we investigate the relationship between the intensity ratio of D* to G band and the reduction of graphene oxide (GO) to evaluate the degree of reduction of rGO. The spectral analysis of GO and rGO, along with systematic research of the thermally reduced GO synthesized via thermal treatment (100–900 °C) revealed a strong linkage between the D*/G intensity ratio and the C/O atomic ratio. The atomic vibrational relationships were elucidated by the assignment of the D* band, based on the density functional perturbation theory calculations. These findings explain the atomic vibrational properties of rGO and provide an indicator of the quality of rGO to optimize its performance for applications.

中文翻译：

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氧化石墨烯中D*带的拉曼研究及其与还原的相关性

摘要 还原氧化石墨烯 (rGO) 是一种石墨烯类材料，在广泛的工业应用中表现出高生产率。为了促进 rGO 的应用，重要的是不仅要生产高质量的 rGO，而且要精确评估输出。拉曼散射中 D 带与 G 带的强度比通常用于评估碳材料的缺陷密度；然而，由于波段叠加引起的模糊性，该比率仅限于评估 rGO 的减少程度。在这项研究中，我们研究了 D* 与 G 带的强度比与氧化石墨烯（GO）的还原之间的关系，以评估 rGO 的还原程度。GO和rGO的光谱分析，对通过热处理（100-900°C）合成的热还原 GO 的系统研究揭示了 D*/G 强度比和 C/O 原子比之间的强联系。基于密度泛函微扰理论计算，通过分配 D* 带阐明了原子振动关系。这些发现解释了 rGO 的原子振动特性，并提供了 rGO 质量的指标，以优化其应用性能。