Vanadium–oxygen species are very harmful to the environment and human health, and also some vanadium–oxygen species have good biological and biomedical effects to human beings. Thus, the study of vanadium–oxygen species is very significant. The types of V–O species are very complex. So far, however, the various structures of V–O species cannot be identified clearly. In this work, the surface‐enhanced Raman spectroscopy (SERS) was used to study vanadium–oxygen species in aqueous solution directly. The SERS spectra with high enhancement factor (EF) and detail information were obtained by the enhancement substrates such as gold nanoparticles (AuNPs), Ag mirror, the Au‐deposited Pt electrodes, and rough Au electrodes. The structures of vanadium‐oxygen species in solutions with different concentration and pH had been well‐characterized firstly by the combination of SERS experiments with density functional theory (DFT) calculations. This work will promote the basic study of the V–O species, and it is also a promotion for the SERS and analytical chemistry.

中文翻译：

---

表面增强拉曼光谱实验和密度泛函理论计算对低浓度溶液中钒氧物种的系统检测和结构表征

钒氧物种对环境和人类健康非常有害，并且某些钒氧物种对人类具有良好的生物和生物医学作用。因此，钒氧物种的研究非常重要。V–O物种的类型非常复杂。然而，到目前为止，尚不清楚V–O物种的各种结构。在这项工作中，使用了表面增强拉曼光谱（SERS）直接研究水溶液中的钒氧物种。具有增强因子（EF）和详细信息的SERS光谱是通过增强底物获得的，例如金纳米颗粒（AuNPs），银镜，金沉积的铂电极和粗糙的金电极。通过将SERS实验与密度泛函理论（DFT）计算相结合，可以很好地表征不同浓度和pH的溶液中钒氧的结构。这项工作将促进V–O物种的基础研究，也将促进SERS和分析化学的发展。