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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Reply to Comment on 'Multiwavelength Raman Spectroscopic Study of Silica-Supported Vanadium Oxide Catalysts'
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Reply to Comment on 'Multiwavelength Raman Spectroscopic Study of Silica-Supported Vanadium Oxide Catalysts'

机译:对“二氧化硅负载的氧化钒催化剂的多波长拉曼光谱研究”的评论答复

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摘要

In his comment, Stiegman criticized certain points of our paper titled "Multiwavelength Raman Spectroscopic Study of Silica-Supported Vanadium Oxide Catalysts". The essential point of his criticisms is our Raman band (associated with V=O and V-O-Si modes) assignment of the VOx/SiO2 system, where Stiegman made the assignment based on an 8-atom model study while our assignment was supported by a DFT study on cluster models, As shown below, we believe Stiegman's model does not sufficiently consider the profound effect of the surface structure and environment of silica on the vibrational spectra and normal modes of surface vanadia species. We will start by showing how our Raman results are well supported by the DFT cluster models compared with Stiegman's model. We will also address his other comments.
机译:施蒂格曼(Stiegman)在评论中批评了我们题为“二氧化硅负载的氧化钒催化剂的多波长拉曼光谱研究”的某些观点。他批评的重点是我们对VOx / SiO2系统的拉曼谱带(与V = O和VO-Si模式相关),其中斯蒂格曼基于8原子模型研究进行了赋值,而我们的赋值得到了通过DFT研究团簇模型,如下所示,我们认为Stiegman模型没有充分考虑二氧化硅的表面结构和环境对表面钒物种的振动光谱和正常模式的深刻影响。首先,我们将展示与斯泰格曼模型相比,DFT聚类模型如何很好地支持我们的拉曼结果。我们还将解决他的其他意见。

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