基于蒙特卡罗方法的纳米线气-液-固生长机制研究  

Study on vapor-liquid-solid growth mechanism of nanowires based on Monte Carlo method

作　　者：曹霞 赵凯 朱彦华 贺梦冬[1] CAO Xia;ZHAO Kai;ZHU Yan-hua;HE Meng-dong(College of Science,Central South University of Forestry and Technology,Changsha 410004,China)

机构地区：[1]中南林业科技大学理学院,湖南长沙410004

出　　处：《湘潭大学学报（自然科学版）》2021年第2期47-54,共8页Journal of Xiangtan University(Natural Science Edition)

基　　金：湖南省自然科学基金面上项目(2019JJ40533);材料表界面科学与技术湖南省重点实验室开放基金(KFBJM2019001)。

摘　　要：纳米线(NWs)由于其独特的光电性质,已成为新时代信息与能源等技术的重要基础,对其生长机理的研究是当前纳米材料领域的重要课题之一.人们通常通过不同的物理化学过程(如化学沉积、物理沉积、元素合成法等)来描述其生长机理.该文基于蒙特卡罗方法,从概率统计的角度研究NWs气-液-固(VLS)生长机制.研究发现,催化剂液滴在基底上分布的均匀性越好,NWs的生长角度越接近垂直状态.NWs长度对催化剂薄膜厚度十分敏感,随着催化剂薄膜厚度的增加,NWs的长度整体呈增加的趋势,并且对于不同的薄膜厚度,均存在两个概率密度较高的NWs长度.研究工作为理解NWs微观生长机制提供了一种全新的视角,有望为相关NWs生长及其调控提供理论依据.Due to the unique photoelectric properties,nanowires(NWs)have been an important foundation of information and energy technology in the new era.The research on the growth mechanism of NWs has become one of the important topics in the field of nanomaterials.Different physicochemical processes(such as chemical deposition,physical deposition and element synthesis)are usually used to describe the growth mechanism.In this paper,the vapor-liquid-solid(VLS)growth mechanism is studied by Monte Carlo method from the perspective of probability and statistics.It is found that the better the uniformity of catalyst droplet distribution on the substrate,the closer the growth angle of NWs is to the vertical state.In addition,the length of NWs is very sensitive to the thickness of the catalyst film,and it increases with the increase of the film thickness.For the different thickness of the catalyst film,the length of NWs with higher probability density exists in two probability peaks.This work provides a new perspective for the study of nanowire growth mechanism,and is expected to provide a theoretical basis for the growth and regulation of related NWs.

关 键 词：气-液-固生长机制 纳米线 蒙特卡罗方法 

分 类 号：O469[理学—凝聚态物理]