碳基超级电容器电化学储能性能取决于其电极/电解质界面形成的双电层.本文使用分子动力学方法,选用石墨烯和氧化石墨烯碳基纳米材料,氯化钠溶液作为电解质,开展了电极/电解质溶液的界面结构模拟,对双电层界面的离子的动力学特性(扩散率、电导率等)、结构特性(电解质密度分布、电荷分布等)和电化学特性(比电容等)进行探究.计算结果表明,在石墨烯材料和氧化石墨烯电极界面,溶液分子受到极板分子间作用和静电库伦作用,
Titanium dioxide dye-sensitized solar cells(Ti02-DSSCs)have been intensively investigated and developed due to their high efficiency, simple fabrication process and low production cost compared with s
Abalance-equation scheme is developed to investigate the magnetotransport in a dc current biased graphene.We examine the Shubnikov-de Haas oscillation under a nonzero bias current.With an increase in
The anisotropic optical and thermoelectric properties of In4Se3 and In4Te3 are studied by the first-principles calculation using the full-potential linearized augmented plane-wave method and the semic
One of the biggest challenges to the applications of graphene is to fabricate three dimensional(3-D)architectures of graphene sheets which inherit its excellent intrinsic properties but overcome its s
在限制于GaAs/A1GaAs异质结中的二维电子气上形成的量子点接触,电导出现以G0=2e2/h为单位的量子台阶,可以在单粒子模型下得到很好的解释,早期,由Glazman和Khaetskii预言,当提高源漏偏压时,电导整数平台G=N×2e2/h逐渐过渡到半整数平台G=(N-1/2×2e2/h,其中N=1,2,3…当G≥2e2/h时,这个理论的预言与实验吻合,但在G<2e2/h时,所有相关实验表明平
In the experimental synthesis of graphene using the chemical vapor deposion methods, it is inevitable to get the polycrystalline graphene composed of many grains and grain boundaries(GBs).
I will present using computational method to predict images taken by a helium ion microscope(HIM)and applied this to the images of graphene which is an important material for developing nano-scaled de
The electronic states in normal graphene monolayer(GML)and graphene bilayer(GBL)exhibit the Berry phases of π and 2π respectively. Here, We demonstrate both GML and GBL exhibit topologically nontrivia
采用Feynman-Vernon泛函积分的方法，我们推导出一个半经典的郎之万方程来描述分子结在电流作用下的动力学。分子中的原子就像布朗运动的粒子一样，感受到来自电子和声子热库的摩擦力和噪声。运用这一方法，我们研究分子结中在电流作用下的焦耳热，得到与非平衡格林函数相符的结果；我们得出了电流诱导力的非保守性，与先前的研究相符。同时，我们也预言了几个新的现象：(1)电流流过分子的时候，分子会感受到一个类