国家自然科学基金(10774176)

作品数：9被引量：5H指数：1
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相关作者：高鸿钧杜世萱更多>>
相关机构：中国科学院更多>>
相关期刊：《物理学进展》《Chinese Physics B》更多>>
相关主题：AB_INITIO_CALCULATIONGROWTHELECTRONIC_STRUCTURES泛函理论基于密度更多>>
相关领域：理学一般工业技术机械工程金属学及工艺更多>>
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Role of buffer layer in electronic structures of iron phthalocyanine molecules on Au(111)
《Chinese Physics B》2010年第9期25-30,共6页孙家涛 潘理达 胡昊 杜世萱 高鸿钧 
supported by the National Natural Science Foundation of China (Grant No.10774176);the National Basic Research Program of China (Grant Nos.2006CB806202 and 2006CB921305);the Shanghai Supercomputing Center,Chinese Academy of Sciences
We investigate the electronic structures of one and two monolayer iron phthalocyanine （FePc） molecules on Au（111） surfaces. The first monolayer FePc is lying flat on the Au（111） substrate, and the second monolay...
关键词：iron phthalocyanine electronic structure calculations buffer layer 
Atomic force microscopy investigation of growth process of organic TCNQ aggregates on SiO_2 and mica substrates
《Chinese Physics B》2010年第8期270-275,共6页郇庆 胡昊 潘理达 肖江 杜世萱 高鸿钧 
Project supported by the National Natural Science Foundation of China(Grant No.10774176);the National Basic Research Program of China(Grant No.2006CB806202)
Deposition patterns of tetracyanoquinodimethane （TCNQ） molecules on different surfaces are investigated by atomic force microscopy. A homemade physical vapour deposition system allows the better control of molecule ...
关键词：TETRACYANOQUINODIMETHANE organic molecule deposition seahorse-like patterns 
Electric dipolar interaction assisted growth of single crystalline organic thin films
《Chinese Physics B》2010年第6期448-452,共5页蔡金明 张余洋 胡昊 鲍丽宏 潘理达 唐卫 李果 杜世萱 沈健 高鸿钧 
Project supported by the National Natural Science Foundation of China (Grant No.10774176);the National Basic Research Program of China (Grant No.2006CB806202)
We report on a forest-like-to-desert-like pattern evolution in the growth of an organic thin film observed by using an atomic force microscope. We use a modified diffusion limited aggregation model to simulate the gro...
关键词：electric dipolar interaction organic thin films diffusion limited aggregation model 
Manipulation and control of a single molecular rotor on Au(111) surface被引量：1
《Chinese Physics B》2010年第1期538-543,共6页张海刚 毛金海 刘奇 江楠 周海涛 郭海明 时东霞 高鸿钧 
Project supported by the National Natural Science Foundation of China (Grant Nos. 60771037 and 10774176);the National Basic Research Program of China (Grant No. 2007CB936802)
Three different methods are used to manipulate and control phthalocyanine based single molecular rotors on Au （111） surface： （1） changing the molecular structure to alter the rotation potential; （2） using the t...
关键词：single molecular rotor scanning tunnelling microscope single-molecule manipulation 
Effect of strain on geometric and electronic structures of graphene on a Ru(0001) surface被引量：1
《Chinese Physics B》2009年第7期3008-3013,共6页孙家涛 杜世萱 肖文德 胡昊 张余洋 李果 高鸿钧 
Project supported by the National Natural Science Foundation of China (Grant No 10774176);National Basic Research Program of China (Grant Nos 2006CB806202,2006CB921305 and 2006CB929103);the Shanghai Supercomputing Center,Chinese Academy of Sciences,and the Supercomputing Center,Chinese Academy of Sciences
The atomic and electronic structures of a graphene monolayer on a Ru（0001） surface under compressive strain are investigated by using first-principles calculations.Three models of graphene monolayers with different ...
关键词：first-principles calculations GRAPHENE strain electronic structure 
Transport properties of boron nanotubes investigated by ab initio calculation被引量：1
《Chinese Physics B》2009年第6期2502-2507,共6页郭伟 胡亦斌 张余洋 杜世萱 高鸿钧 
Project supported by the National Natural Science Foundation of China (Grant No 10774176);the National Basic Research Program of China (Grant Nos 2006CB806202 and 2006CB921305);the Shanghai Supercomputing Center,Chinese Academyof Sciences
We investigate atomic and electronic structures of boron nanotubes （BNTs） by using the density functional theory （DFT）. The transport properties of BNTs with different diameters and chiralities are studied by the ...
关键词：nonequilibrium Green function transport properties boron nanotubes 
Conductance switching mechanism of Rose Bengal organic thin films in ambient conditions
《Chinese Physics B》2009年第4期1622-1626,共5页蔡莉 郭海明 朱熙 杜世萱 时东霞 高鸿钧 
Project supported by the National Natural Science Foundation of China (Grant Nos 60771037 and 10774176);the National High Technology Research and Development Program of China (Grant No 2006CB921305)
The molecular thin films of Rose Bengal （RB） embedded in polymethyl methacrylate matrix are fabricated by using the spin-coating technique. The macroscopic current-voltage （I-V） characterization of the film shows ...
关键词：Rose Bengal conductance transition MECHANISM 
功能分子结构的组装和单分子物性:基于密度泛函理论的第一性原理计算与扫描隧道显微学(I)被引量：1
《物理学进展》2008年第2期158-190,共33页杜世萱 高鸿钧 
国家自然科学基金(10774176,60621061,60321001,60620120443);973项目(2006CB806202,2006CB921305)
在单个分子的层次上研究低维分子纳米结构的生长,理解组装机制并实现结构与特性的有效控制,是低维体系物理及其器件研究的重要内容。本文在基于密度泛函的第一性原理计算的基础上,对功能分子在金属表面上的自组装特性等进行了综述。对...
关键词：密度泛函理论 第一性原理 自组装 电子结构 单分子成像 
Ab initio calculation of the growth of Te nanorods and Bi_2Te_3 nanoplatelets被引量：1
《Chinese Physics B》2008年第1期286-289,共4页田晓庆 杜世萱 高鸿钧 
Project supported by the National Natural Science Foundation of China (Grant No 10774176);the Nation Basic Research Program of China (Grant Nos 2006CB921305 and 2006CB806202)
In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different c...
关键词：ab initio calculation growth mechanism Te nanorod Bi2Te3 nanoplatelet 
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