Abstract Mo- doped crystalline V2O5 thin films were prepared by thermal evaporation and its surface morphology, vibrational spectra and electronic structure properties were studied by X-ray diffraction, Raman spectroscopy, Field Emission Scanning Electron Microscopy, X-ray photoelectron spectroscopy and Density Functional Theory based calculations. It is found that molybdenum ions have an oxidation state of 6+ in V2O5 unit cell and dopant ions reduce the oxidation state of the neighboring vanadium ions from 5+ to 4+. Electronic structure calculations revealed the formation of new energy states in the band gap. Mo doping is expected to enhance the electronic conductivity and performance of V2O5 as electrodes in rechargeable batteries.

中文翻译：

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Mo掺杂的V2O5的X射线光电子能谱和电子结构

摘要 采用热蒸发法制备了 Mo 掺杂晶体 V2O5 薄膜，并通过 X 射线衍射、拉曼光谱、场发射扫描电子显微镜、X 射线光电子能谱和密度泛函理论研究了其表面形貌、振动光谱和电子结构特性。基于计算。发现钼离子在 V2O5 晶胞中的氧化态为 6+，掺杂离子将相邻钒离子的氧化态从 5+ 降低到 4+。电子结构计算揭示了带隙中新能态的形成。Mo 掺杂有望提高 V2O5 作为可充电电池电极的电子导电性和性能。