首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Synthesis, growth mechanism, and work function at highly oriented {001} surfaces of bismuth sulfide microbelts
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Synthesis, growth mechanism, and work function at highly oriented {001} surfaces of bismuth sulfide microbelts

机译:硫化铋微带高取向{001}表面的合成,生长机理和功函

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We demonstrate in this communication a facile hydrothermal route to fabricate Bi2S3 microbelts in large scale with unique highly oriented {001} surfaces. The growth mechanism follows two-stage crystallization with initial bubble- template growth and a subsequent anisotropic growth process, which is obviously different from previous reports for fabricating 1D microanostructures. Because the work function is an important parameter for the surface and applied to the investigation of many surface phenomena, the work function of Bi2S3 at the highly oriented {001} surfaces is calculated using a density functional theory based on the planewave method, implemented in the Vienna ab initio simulation package. The high work function of 4.93 eV at the highly oriented {001} surfaces of Bi2S3 microbelts contributes to the potential application for anode materials and understanding the field-emission characteristics and photoelectrochemical behaviors.
机译:我们在这种交流中展示了一种易于制造的热液路线,可大规模制造具有独特的高度取向的{001}表面的Bi2S3微带。生长机理遵循两阶段结晶,即最初的气泡模板生长和随后的各向异性生长过程,这明显不同于先前关于制造一维微/纳米结构的报道。由于功函是表面的重要参数,并且适用于研究许多表面现象,因此,使用基于平面波方法的密度泛函理论,在高度取向的{001}曲面上计算Bi2S3的功函,该函数在维也纳从头开始仿真程序包。在Bi2S3微带的高度取向的{001}表面上具有4.93 eV的高功函,有助于阳极材料的潜在应用以及了解场发射特性和光电化学行为。

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