Electronic and optical properties of anion doped c ZrO2 from first principles ca

工程甲 8 0 PDF 2021-02-15 23:02:15

Electronic and optical properties of anion-doped c-ZrO2 from first-principles calculations

推荐下载

Competition of edge effects on the electronic properties and excitonic effects in short graphene nan

Using the first-principles method based on the density functional theory, we investigated the ferrom

Electronic Properties of Graphene Altered by Substrate Surface Chemistry and Externally Applied Elec

We investigate the electronic transport properties of zigzag-edged silicene nanoribbons (ZSiNRs) wit

Electronic structrues and transport properties of zigzag BNC nanoribbons with different combinations

用原子设计方法调制SrTiO3的结构、电子性质和磁性:氧缺陷和氮掺杂的比较,廖霞霞,王惠琼,应用基于密度泛函理论的第一性原理计算方法分别对七套SrTiO2.75(氧缺陷)和SrTiO2.75N0.25

石墨烯中硅掺杂结构及其电子性质研究,魏晓林,肖化平,本文运用第一性原理方法,系统研究了掺杂硅与石墨烯的相互作用。预测了石墨烯中四种稳定的掺杂硅原子对形貌,研究表明掺杂的硅原

由C50笼构成的花生状二聚体和纳米管的结构与电子性质,白红存,乔卫叶,本文基于分子轨道和晶体轨道的自洽场从头算方法,对由C50笼构成的花生状二聚体和纳米管的结构与电子性质进行了研究。研究结果表明

Tuning optical properties and optical rotation of 3-mercaptopropionic acid capped organic–inorganic

基于密度泛函理论的S掺杂类石墨型C3N4的结构和电子结构研究,陈刚,高尚鹏,采用密度泛函理论研究了heptazine基的类石墨型C3N4和S掺杂类石墨型C3N4的结构和电子结构。为了正确描述层与层间的

用户评论

请输入评论内容

评分：

暂无评论