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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Molecular Dynamics Study on Au/Fe3O4 Nanocomposites and Their Surface Function toward Amino Acids
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Molecular Dynamics Study on Au/Fe3O4 Nanocomposites and Their Surface Function toward Amino Acids

机译:Au / Fe3O4纳米复合材料的分子动力学及其对氨基酸的表面作用

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摘要

The deposition of gold nanoparticles on the magnetite (Fe3O4) surface is demonstrated through a molecular dynamics method. The simulated results show that an intermediate layer composed by such as a surfactant, polymer, or silica plays a key role in the formation of core/shell Fe3O4/Au nanostructures. The functional groups of the intermediate layer are crucial factors in depositing gold onto the Fe3O4 surface via nonbond-ing interactions, in which the van der Waals and Columbic forces will determine the strength of interaction toward the gold and iron oxide. Such interactions can affect the stability of the metal-coated nanocomposites and hence the functional properties. The nanocomposite is further investigated on the surface adsorption of amino acids (e.g., cysteine), which may be useful for functional exploration in biomedical applications.
机译:通过分子动力学方法证明了金纳米颗粒在磁铁矿(Fe3O4)表面的沉积。模拟结果表明,由表面活性剂,聚合物或二氧化硅组成的中间层在形成核/壳Fe3O4 / Au纳米结构中起关键作用。中间层的官能团是通过非键合相互作用将金沉积到Fe3O4表面的关键因素,范德华力和哥伦布力将决定向金和氧化铁的相互作用强度。这种相互作用可以影响金属涂覆的纳米复合材料的稳定性,并因此影响功能特性。在氨基酸(例如半胱氨酸)的表面吸附上进一步研究了纳米复合材料,这对于生物医学应用中的功能探索可能是有用的。

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