...单电子波函数,首先在密度泛函(DFF)框架内计算得出,且满足一定的边界条件;对电极区域只做简单的“凝胶模型(jellium model)”处理;Go是裸电极时的Green函数,取平面波为基函数时能解析表出;V是放入芯分子后器件.
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原子凝胶模型 Atom-in-Jellium Model
凝胶注模成型 aqueous gel casting
浓差极化一凝胶层模型 concentration Polarization-gel layer model
本论文主要包括以下内容:第一章,对金属团簇以及用于描述其电子结构的凝胶模型的简要介绍,其中主要介绍了球形凝胶模型的计算原理。
The thesis is structured as below: Chapter 1 is a brief introduction to metal cluster as well as Jellium model which describes its electronic structure, mainly introduced the sphere Jellium model.
方法采用无膜溶出模型,考察释放面积、振荡频率对眼用凝胶溶蚀及药物释放的影响。
Methods The non-membrane model was introduced to observe the influence on the drug release and gel erosion for surface area and shaking frequency.
目的建立人鼻粘膜腺体细胞的胶原蛋白凝胶内培养模型。
Objective To establish a culture model of human nasal gland (HNG) cells in collagen gels.
应用推荐