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Direct observation of tunable surface structure and reactivity in TiO2 nanopowders

机译:直接观察TiO2纳米粉体的可调表面结构和反应性

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Surface structure and reactivity is of primary importance in numerous metal oxide applications. Nanopowders can offer advantages both in ease of preparation and in total surface area relative to mono crystals. Although monocrystal surfaces have been characterized using a variety of spectroscopy and microscopy techniques, key features of these surfaces may not translate to nanopowders. In previous studies of alumina and zirconia, we employed nuclear reaction analysis coupled with density functional calculations to show that the atomic and electronic structures of these nanopowder surfaces are distinct from those predicted thermodynamically for macroscopic crystals. Here, we report similar findings for the technologically important metal oxide TiO2. For the first time, we extend our studies to characterize these nanopowders' surface reactivity with oxygen and hydrogen. We observe reactivity indicative of surface states with metallic character distinct from the stoichiometric oxide. This notable behavior holds crucial implications for use of these powders as catalysts and catalyst supports. (C) 2017 Elsevier B.V. All rights reserved.
机译:在许多金属氧化物应用中,表面结构和反应性至关重要。相对于单晶,纳米粉可以在制备容易和总表面积方面提供优势。尽管已经使用多种光谱学和显微镜技术表征了单晶表面,但是这些表面的关键特征可能无法转化为纳米粉末。在先前对氧化铝和氧化锆的研究中,我们采用核反应分析与密度泛函计算相结合,以表明这些纳米粉体表面的原子和电子结构与宏观晶体的热力学预测不同。在这里,我们报告了技术上重要的金属氧化物TiO2的类似发现。首次,我们扩展了研究范围,以表征这些纳米粉与氧气和氢气的表面反应性。我们观察到反应性指示了具有不同于化学计量氧化物的金属特征的表面状态。对于将这些粉末用作催化剂和催化剂载体,这种显着的行为具有至关重要的意义。 (C)2017 Elsevier B.V.保留所有权利。

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