On the selective decoration of facets in metallic nanoparticles

M.M. Mariscal; O.A. Oviedo; E.P.M. Leiva

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On the selective decoration of facets in metallic nanoparticles

机译：关于金属纳米粒子刻面的选择性装饰

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This work presents key modeling aspects that are central to the manipulation of the decoration of metallic nanoparticles by a thin shell of a metal of different chemical nature. The concept of underpotential deposition is generalized to nanoparticles. An all-atom model, taking into account many-body interactions by means of the embedded atom potential, was used to represent nanoparticles of different sizes and atomic adsorbates on them. A full set of state-of-the-art computer simulations are performed for a model system, showing that selective decoration of facets is possible. The trends observed in the present work are in good qualitative agreement with experimental data reported very recently.

机译：这项工作提出了关键的建模方面，这对于通过化学性质不同的金属薄壳操纵金属纳米颗粒的装饰至关重要。欠电位沉积的概念被推广到纳米颗粒。考虑到通过嵌入的原子电势进行多体相互作用的全原子模型，用于表示不同大小的纳米粒子及其上的原子吸附物。对模型系统执行了全套的最新计算机模拟，这表明可以选择性地装饰小平面。当前工作中观察到的趋势与最近报道的实验数据在质量上吻合。

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来源
《Journal of Materials Research》 |2012年第14期|p.1777-1786|共10页
作者
M.M. Mariscal; O.A. Oviedo; E.P.M. Leiva;
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作者单位

INFIQC/CONICET, Departamento de Matemdtica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, XUA5000, Cordoba, Argentina;

INFIQC/CONICET, Departamento de Matemdtica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, XUA5000, Cordoba, Argentina;

INFIQC/CONICET, Departamento de Matemdtica y Fisica, Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, XUA5000, Cordoba, Argentina;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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正文语种 eng
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On the selective decoration of facets in metallic nanoparticles

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