Theoretical Studies of Low-Dimensional Carbon and Boron Nitride Nanoscale Systems

纳米材料在光、电、磁、力学等方面的特性和潜在应用，一直受到实验和理论科学家们的高度关注。碳纳米管、石墨烯及其等电子的硼氮纳米结构体系作为重要的低维纳米材料，在物理、化学、材料等学科领域中具有十分重要的地位。通过系统的第一性原理计算，我们研究了不同低维碳和硼氮纳米结构材料体系的结构特征、电子和磁性质，考查了表面缺陷、化学掺杂、小分子表面吸附等结构修饰与化学修饰对其导电性和磁性的影响，获得的结果为新型碳基和硼氮基纳米功能材料的设计提供了有益的理论信息。 本论文获得的主要结果如下： (1)和无缺陷单壁碳纳米管相比，拓扑缺陷和单空位缺陷的存在，能够明显地加强氮氧化物与半导体(10，0)管的相互作用...Nanomaterials offer promising applications in nanoscale electronics and optics due to their unusual optical, electronic, magnetic, thermal, and mechanical properties. One-dimensional single-walled carbon nanotubes (SWNT), two-dimensional graphene, and their isoelectronic boron nitride (BN) nanostructures as important low-dimensional nanomaterials have a standing interest in physics, chemistry, and...学位：理学博士院系专业：化学化工学院化学系_物理化学(含化学物理)学号：2052007015361

Fast Fixed Codebook Search Method

为降低固定码本搜索算法的复杂度,在脉冲取代法的基础上提出一种码矢分段优化的快速搜索方法。采用码矢分段优化的方法,在保证语音质量的前提下,降低计算复杂度。实验结果表明,与AMr-Wb采用的深度优先树算法及传统的脉冲取代算法相比,在不影响语音质量的条件下,码矢分段优化算法复杂度降低了70%--80%。In order to reduce complexity of fixed codebook search,a fast algebraic codebook search argorithm based on pulse replacement procedure is proposed in this paper.The proposed method is employed dividing candidate codevector into two sub-codevectors to optimize.It not only lowers the computational complexity sharply,but also ensures the speech quality.Experimental results show that the proposed method reduces the total computational complexity by 70%--80% with speech quality equivalent,compared with that by the depth-first tree search method adopted in AMR-WB and traditional pulse replace method.福建省科技厅重大专项基金资助项目(2009HZ0003-1

The Organizational Control Strategy against Employee Counterproductive Work Behavior:An Empirical Research from Social Cognitive Perspective

本文基于社会认知的视角探讨中国企业员工反生产行为(CWb)的组织控制策略,采用跨层次分析的方法对27家企业的426名员工进行了实证研究。结果发现:虽然中国企业员工的尽责感和神经质人格特质对其CWb具有显著影响。但是,由于自利和规则导向的组织伦理气氛以及领导公正和信息公正作为重要的组织情境,不仅可以直接对CWb产生显著影响,而且还对人格特质与CWb之间的关系起到复杂的调节作用。因此,中国企业可以综合采用员工人格特质测试、组织伦理气氛培育以及组织公正环境建设等策略来进行员工CWb的组织控制。This article investigate the organizational control strategy of Chinese enterprises employee's counterproductive work behavior( CWB) from the perspective of social cognitive,using cross-level analysis method to do empirical research based on 426 employees from 26 enterprises.The results show that although Chinese employee's conscientiousness and neuroticism personality trait have the significant personality,but instrumentalism and rule oriented ethical climate,leader justice and information justice are very important organizational context,they not only have significant affect to CWB respectively,but also complex moderate the relationships between personality trait and CWB.So,Chinese enterprises can use a variety of strategies to control the employee's CWB such as employee personality test,organizational ethical climate cultivation,organizational justice environment construction,and so on.国家社会科学基金项目(14CGL018); 教育部人文社会科学规划基金项目(11YJA630057); 国家自然科学基金项目(71302175

C_(60)的激光产生与聚合——Ⅱ.微量掺杂物对C_(60)形成的促进作用

在自制的仪器上 ,用高能量密度的脉冲激光束 ,在高真空中直接溅射各种掺杂了微量有机、高分子与无机化合物的单质碳样品 .根据原位记录的飞行时间质谱 ,发现其中某些掺杂物对C60 的形成具有显著的促进作用 .实验结果证实 ,这些掺杂物的促进作用与掺杂物本身的结构无关 ,掺杂物并不提供生成C60 的碳源 ,起促进作用的是其中的某些能与碳原子成键的原子 (或基团 ) ,其中氯原子的效果最为显著 .实验结果揭示了激光溅射下C60 的生成机

THE EFFECTS OF COMBINATION OF CHINESE MEDICINE EFFECTIVE CONSTITUENTS ON CONFIGURATION AND COMPONENTS OF NUCLEAR MATRIX OF THE OSTEOSARCOMA MG-63 CELLS

目的研究中药有效成分人参皂甙Rg1、肉桂酸CINN及丹参酮TanⅡA的组合(简称RCT),诱导人成骨肉瘤MG-63细胞分化过程中,细胞核基质构型与蛋白质组成的变化。方法应用流式细胞仪检测细胞周期变化,用四甲基偶氮唑蓝(MTT)法绘制细胞生长曲线,以选择性抽提整装光镜与电镜技术及蛋白质组学技术分析观察处理前后MG-63细胞核基质构型与蛋白质组成的变化。结果生长曲线显示,RCT处理后MG-63细胞的增殖受到明显抑制,增殖抑制率在第7天达到72.37%,细胞周期出现明显的G0/G1期阻滞。MG-63细胞核基质为典型的肿瘤细胞恶性表型,在RCT处理后发生了向正常细胞转变的恢复性变化。RCT处理后的细胞中多种核基质功能蛋白的表达发生了变化。结论RCT能显著抑制体外培养MG-63细胞的增殖活动,将细胞周期阻滞于G0/G1期,诱导核基质构型发生了显著的恢复性变化,并改变核基质蛋白的组成,对MG-63细胞具有显著的分化诱导作用。Objective To explore the alteration of nuclear matrix proteins and the configurational changes of nuclear matrix(NM) system during differentiation of the osteosarcoma MG-63 cells in vitro after being induced by the combination of ginsenoside Rg1,cinnamic acid and tanshinoneⅡA(RCT).Methods Cell cycle was investigated by flow cytometry and the growth curve was drawn with MTT method.The cells treated with or without RCT were subjected to selective extraction method and prepared for whole mount electron microscopy observation.The nuclear matrix-intermediate samples were examined under light and transmission electron microscopes respectively.The nuclear matrix proteins were subjected to analysis of proteomic technique.Results The proliferstion of the MG-63 cells treated with RCT were repressed markedly;the rate of repression was 72.37% on the seventh day,and the cell cycle was blocked at G_0/G_1 phase.The typical malignant phenotype of nuclear matrix of MG-63 tumor cell were reversed to normal cells.The expression of many functional proteins of nuclear matrix were changed in the MG-63 cells after the treatment with RCT.Conclusion RCT can repress markedly the proliferation of MG-63 cells,block cell cycle,induce a restorational change to the nuclear matrix architecture similar to that of normal cells,and change the constitutes of nuclear matrix proteins.Thereby RCT have a notable effect on MG-63 cells differentiation.国家自然科学基金资助项目(30470877);; 福建省自然科学基金资助项目(2008J0302);; 中国博士后科学基金资助项目(20070420754

紫外辐射诱导的C_(60)聚合反应——共焦显微拉曼光谱研究

以表面增强拉曼效应的金面作为基底，用共焦显微拉曼光谱仪对Ｃ６０在紫外光辐射下拉曼光谱的变化进行了原位的跟踪考查。结果表明，在紫外辐射下，Ｃ６０发生了聚合，失去了分子所固有的球形对称结构；但聚合产物的笼状结构形式并无太大的变化，只是结构的共轭体系增大，整体的对称性降低

C_(60)离子束撞击固体表面坍塌沉积物的拉曼光谱研究

Ｃ６０离子束撞击固体表面坍塌沉积物的拉曼光谱研究唐紫超任斌黄荣彬田中群郑兰荪（固体表面物理化学国家重点实验室厦门大学化学系厦门３６１００５）ＣｏｌａｐｓｅｄＤｅｐｏｓｉｔｉｏｎｏｆＡｃｃｅｌａｔｅｄＣ６０ＢｅａｍｏｎＳｏｌｉｄＳｕｒｆａｃｅｓ——Ｃ..

C_nD_m~-簇离子的结构特性和形成动力学研究

对较小碳原子簇负离子Ｃ－ｎ结构的研究是从直链向单环乃至双环构型发展的．氢原子在碳原子簇中起着电子给予体的作用［１，２］．但以往的研究未发现碳原子数的奇偶性和氢原子数目对簇离子构型的影响．我们以激光溅射氘代蒽样品，产生了丰富的碳／氢团簇负离子ＣｎＤ－ｍ..

表面增强拉曼光谱研究C_(60)紫外辐射诱导聚合

表面增强拉曼光谱研究Ｃ６０紫外辐射诱导聚合高劲松唐紫超黄荣彬郑兰荪田中群（固体表面物理化学国家重点实验室，厦门大学化学系，物理化学研究所，厦门３６１００５）Ｓｕｒｆａｃｅ┐ｅｎｈａｎｃｅｄＲａｍａｎＳｐｅｃｔｒｏｓｃｏｐｙｏｆｔｈｅＣｏａｌｅｓｃｅ..

紫外辐射诱导C_(60)聚合的扫描隧道显微研究

C60 molecule was adsorbed on the Au(111)surface and irradiated with UV light.The coalescence under the UV radiation was followed by STM in situ. According to the STMobservation, the coalesced products have larger cages and finally form a film