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Comprehensive Research on Carbon Clusters

碳团簇综合研究

基本信息

批准号：
05233106
负责人：
OSAWA Eiji
金额：
$ 123.58万
依托单位：
TOYOHASHI UNIVERSITY OF TECHNOLOGY
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research on Priority Areas
财政年份：
1993
资助国家：
日本
起止时间：
1993 至 1996
项目状态：
已结题

项目摘要

An extensive project on the basic research of carbon clusters called fullerenes have been carried out in seven groups, 1 higher fullerenes, 2 applications to material science, 3 metal encapsulated fullerenes, 4 synthesis of derivatives, 5 theory and computations, 6 solid state physics and crystals, and 7 biological influence. In the course of three years from 1993 and 1996, a total of 158 scientists participated in the project which received a total of 930,000,000 yen of financial support. A total of 501 original papers have been published so far, of which 2 were published in Nature and one in Science, A total of 840 papers have been presented by these groups to the semiannual General Fullerene Symposium. Some of the major results are as follows.Higher fullerenes from C_<78> to C_<116> have been isolated and some of them identified.Carbon nanocapsules containing microcrystals of pure metals of their carbides have been discovered and systematically studied.A new carbon composite materia … More l having elastic property has been fabricated from C_<60> and carbon nanotubes.Automatic production of fullerenes by JxB are jet reactor has been tested.Endohedral molecular structure of Y@C_<82> has been determined by the maximum entropy technique of X-ray diffraction analysis.Superconductivity has been discovered in silicon clusters encapsulating barium atoms.Unique dependence of electric properties in carbon nanotubes on the helical pitches has been theoretically predicted.A program package for the large-scale simulations at the atomistic level has been written based on the mixed basis ab initio molecular dynamics and executed on various aspects of fullerene chemistry and physics.Polymerization of C60 to polymers in high dimension has been accomplished for the first time.The first experimental proof for the superconductivity of alkali-doped fullerenes M_3C_<60> in accordance with the BCS theory has been presented.A water-soluble derivative of C_<60> has been successfully tested as the sensitizer in the photodynamic therapy of cancer. Less

一个关于碳团簇（称为富勒烯）的基础研究的广泛项目已经在七个小组中进行，1高级富勒烯，2在材料科学中的应用，3金属封装的富勒烯，4衍生物的合成，5理论和计算，6固态物理和晶体，以及7生物影响。在1993年至1996年的三年期间，共有158名科学家参加了该项目，共获得9.3亿日元的财政支助。到目前为止，共发表了501篇原创论文，其中2篇发表在《自然》杂志上，1篇发表在《科学》杂志上，这些小组共向半年度的富勒烯大会提交了840篇论文。主要研究结果如下：从C_到C_的高级富勒烯<78><116>已被分离和鉴定;发现并系统研究了含有纯金属碳化物微晶的碳纳米胶囊;一种新的碳复合材料 ...更多信息以C_2<60>和碳纳米管为原料，制备了具有弹性的C_1。用JxB电弧喷射反应器进行了富勒烯的自动化生产试验。<82>用X射线衍射分析的最大熵技术确定了Y@C_2的内包分子结构。在包封钡原子的硅团簇中发现了超导电性。从理论上预测了碳纳米管的电性能与螺距的独特关系。编制了一个大尺寸C_1的计算程序包。该程序包可用于大尺寸C_1的制备。基于混合基从头算分子动力学编写了原子级的尺度模拟，并对首次实现了C_（60）的高维聚合，首次从实验上证明了碱金属掺杂的富勒烯M_3C_3的超导电<60>性符合BCS理论，并成功地将C_3的水溶性衍生物<60>作为光敏剂用于癌症的光动力治疗。少