金属Mo和W纳米晶表面能及形成焓的计算
he calculation of surface energies and formation enthalpies of metallic Mo and W nanocrystals
从Hill微系统热力学理论出发，建立了金属纳米晶体表面能的简单模型，并根据已建立的模型计算了金属纳米晶体的形成焓。对金属纳米晶体Ag和Au表面能的预测值与最近发表在Phys. Rev. Lett上的实验结果相一致。对金属纳米晶体Mo和W形成焓的预测也与发表在Chem Phys Lett上的相应实验值吻合。
simple but valid equation for the higher surface energies of metallic nanocrystals is obtained, the formation enthalpies of nanocrystals are calculated by using the equation of surface energies, and the structure variation induced formation enthalpies are also discussed. The calculated surface energy values of Ag and Au nanocrystals are in excellent agreement with the corresponding newest experimental values, and the predicted formation enthalpy values are consonant with the corresponding experimental values of Mo and W nanocrystals.
汪明朴、贾延琳、曹玲飞、谢丹
物理学化学晶体学
金属纳米晶体，表面能，形成焓
Metallic nanocrystals Surface energy Formation enthalpy
汪明朴,贾延琳,曹玲飞,谢丹.金属Mo和W纳米晶表面能及形成焓的计算[EB/OL].(2005-09-08)[2025-08-02].http://www.paper.edu.cn/releasepaper/content/200509-67.点此复制
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