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通过不同烷基链取代调控喹吖啶酮分子在Ag(110)表面上的自组织结构
引用本文:时东霞,季威,贺晓波,高利,程志海,杜世萱,庞世瑾,高鸿钧. 通过不同烷基链取代调控喹吖啶酮分子在Ag(110)表面上的自组织结构[J]. 物理, 2007, 36(1): 11-14
作者姓名:时东霞  季威  贺晓波  高利  程志海  杜世萱  庞世瑾  高鸿钧
作者单位:中国科学院物理研究所,北京凝聚态国家实验室,北京,100080
基金项目:国家自然科学基金;国家重点基础研究发展计划(973计划);国家高技术研究发展计划(863计划)
摘    要:采用低能电子衍射、扫描隧道显微镜、第一性原理密度泛函理论计算以及分子力学计算,分别对不同烷基链取代的喹吖啶酮(QA)分子在Ag(110)基底上的吸附和生长进行了研究.QA和Ag基底的相互作用主要来自分子中0原子和Ag基底的共价键,它决定了分子的取向和最优吸附位置;而烷基链决定了分子吸附层的取向,QA分子间的排列可以通过烷基链的长度来调节.由此借助调节烷基链的长度,能够可控地制备具有不同物理性质的单层分子薄膜.

关 键 词:分子纳米结构  表面吸附  扫描隧道显微镜  低能电子衍射  第一性密度泛函理论  分子力学  喹吖啶酮(QA)
修稿时间:2006-08-152006-10-09

Modulation of quinacridone derivatives nanostructures by lateral Alkyl chains on Ag(110)
SHI Dong-Xia,JI Wei,HE Xiao-Bo,GAO Li,CHENG Zhi-Hai,DU Shi-Xuan,PANG Shi-Jin,GAO Hong-Jun. Modulation of quinacridone derivatives nanostructures by lateral Alkyl chains on Ag(110)[J]. Physics, 2007, 36(1): 11-14
Authors:SHI Dong-Xia  JI Wei  HE Xiao-Bo  GAO Li  CHENG Zhi-Hai  DU Shi-Xuan  PANG Shi-Jin  GAO Hong-Jun
Affiliation:Institute of Physics, Belting National Laboratory of Condensed Matter Physics, Chinese Academy of Sciences, Beijing 100080, China
Abstract:Low energy electron diffraction, scanning tunneling microscopy, first-principles density-functional theory, and molecular mechanics calculations were used to analyze the adsorption and growth of quinacridone derivatives (QA) with alkyl chains of 4 and 16 carbon atoms on an Ag(110) substrate. It is found that the alkyl chains determine the orientation of the molecular overlayers, while the interaction of QA and the Ag substrate is primarily due to chemical bonding of oxygen to the silver substrate, which determines the molecular orientation and preferred adsorption site. The intermolecular arrangement can be adjusted by varying the length of alkyl chains, thus uniform QA films may be fabricated with very well controlled physical properties.
Keywords:molecular nanostructure   surface adsorption   scanning tunneling microscopy   low energy electron diffraction   first-principles density-functional theory   molecular mechanics calculations   quinacridone derivatives (QA)
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