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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Size-, Shape-, and Dimensionality-Dependent Melting Temperatures of Nanocrystals
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Size-, Shape-, and Dimensionality-Dependent Melting Temperatures of Nanocrystals

机译:纳米晶体的尺寸,形状和尺寸相关的熔化温度

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摘要

On the basis of a model for size-dependent cohesive energy, the size, shape, and dimensionality effects on melting temperatures of nanocrystals are modeled in a unified form. The model predicts that the melting temperature T_m(D,d,λ) decreases with reducing size D and dimensionality d or increasing shape factor λ. For nanoparticles with the same D values, there is T_m(icosahedron) > T_m(sphere or cube) > T_m(octahedron) > T_m(tetrahedron). Moreover, the ratio of depression of T_m(D,d,X) is about 1:2λ_(wire):3λ_(particle) for thin films, nanowires, and nanoparticles when D is large enough, for example, 6 run. The model is found to be in accordance with available experimental, MD simulation, and other theoretical results for Au, Ag, Ni, Ar, Si, Pb, and In nanocrystals.
机译:在基于尺寸的内聚能模型的基础上,以统一的形式对纳米晶体的熔化温度的尺寸,形状和尺寸效应进行建模。该模型预测熔化温度T_m(D,d,λ)随着尺寸D和尺寸d的减小或形状系数λ的增加而降低。对于具有相同D值的纳米粒子,存在T_m(二十面体)> T_m(球形或立方体)> T_m(八面体)> T_m(四面体)。此外,当D足够大,例如6行时,对于薄膜,纳米线和纳米粒子,T_m(D,d,X)的凹陷比约为1:2λ_(线):3λ_(粒子)。发现该模型与可用的实验,MD模拟以及Au,Ag,Ni,Ar,Si,Pb和In纳米晶体的其他理论结果一致。

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