基于内嵌金属富勒烯的量子计算材料研究

项目名称： 基于内嵌金属富勒烯的量子计算材料研究

项目编号： No.11274283

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 杨华

作者单位： 中国计量学院

项目金额： 85万元

中文摘要： 金属富勒烯是指将金属或金属团簇包结于富勒烯碳笼之中形成的化合物，它们在太阳能电池、磁共振成像以及量子信息等方面显示出良好的应用前景。本项目拟合成一系列单核和双核Tm金属富勒烯，并利用碳笼对于内部包结的Tm的屏蔽和保护作用，将其用作量子信息材料。针对金属富勒烯的合成产率比较低的现状，我们通过优化合成条件，认识Tm金属富勒烯的生成机理，建立高产率的合成方法。利用同步辐射X-射线单晶分析揭示所合成的Tm金属富勒烯三维结构。利用脉冲ESR方法研究单核和双核Tm金属富勒烯自旋驰豫的自旋晶格和自旋自旋相互作用的机制，进而建立提高Tm金属富勒烯作为量子比特的自旋相干时间的方法。制备出单分散Tm金属富勒烯的样品，有可能实现单量子比特Deutsch-Jozsa的量子算法。项目的成功实施将获得Tm金属富勒烯的系统知识，为基于Tm金属富勒烯的量子信息材料的研究提供新思路。

中文关键词： 内嵌金属富勒烯；晶体结构；量子计量；退相干；电子自旋共振

英文摘要： Endohedral metallofullerene is a kind of compounds which are formed by introducing the momo-metal atom, di-metal atoms, or metal cluster into the interior space of the cages of fullerenes. These materials have shown extensively potential applications in the fields such as the organic solar cell, magnetic resonance imaging, and the quantum information processing etc. In this project, we plan to synthesize a series of the mono-, and di-thulium containing endohedral metallofullerenes, and then, use them as the quantum information materials taking the advantages of the shielding and protecting functions of the cages for the encased thulium. Due to the extremely low yield of the metallofullerenes from the arc discharging synthesis at present, we plan to optimize the synthetic conditions, and reveal the formation mechanism of the endohedrals. Therefore, we will develop the synthetic method with relative high yield. The three dimensional structures of the as-synthetic samples of thulium-containing metallofullerenes will be determined using the synchrotron X-ray single crystal analysis. In addition, the theoretical computation will be carried out in order to demonstrate the nature of the chemical interaction between the encaged metal and the carbon cage. We will investigate the spin-environment and spin-spin interaction

英文关键词： endohedral metllofullerene；cystal structure；quantum computation；decoherence；electron spin resonance