纳米金刚石粉酸处理前后性能结构的表征

自从1963年爆炸法合成纳米金刚石[1]以来,纳米金刚石已在科研和工业领域得以广泛应用.但是工业合成的纳米金刚石粉由于其工艺的限制存在一些杂质,其中主要包括纳米石墨、非晶碳和爆炸过程中产生的金属离子.因此,在实际科研工作前对纳米金刚石粉进行纯化处理就显得十分重要,以往的研究表明不同的处理方法各有利弊[2].在以下的研究中,我们采用盐酸消解的方法对商业购买的纳米金刚石粉进行纯化处理,通过对比纯化处理前后的IR、Raman以及ICP表征,分析讨论了酸处理方法的纯化效果.     

强磁场碳黑催化法制备纳米新金刚石粉

在直流恒稳强磁场(10T)作用下，以纳米铁为催化剂，碳黑为碳源，在常压和1100℃下保温100min成功地制备出了类金刚石和新金刚石，并用XRD，TEM和Raman对制备的样品粉末进行表征．结果表明，样品粉末是由纳米类金刚石粉和石墨包覆新金刚石纳米颗粒组成，纳米类金刚石粉的大小为20nm，石墨包覆新金刚石的大小为100nm．     

纳米金刚石解团聚的一种新方法——石墨化-氧化法

用炸药爆炸法制备的纳米金刚石(ND)是由直径为4～6 nm的金刚石微晶粒组成，但这种纳米晶粒相互团聚，形成尺寸大得多的团聚体，至今尚未找到很有效的解团聚方法.该文提出了一种可用于这种纳米金刚石解团聚的新方法——石墨化－氧化法.将纳米金刚石粉在氮气中1 000 ℃加热1 h，这时纳米颗粒表面和界面上生成石墨层，再用在空气中450 ℃氧化的方法，将界面上的石墨层除去.将经过这样处理后的样品放入水中用超声波分散后，超过50％（质量百分数）的金刚石颗粒可以被分散到直径小于50 nm.可见这种方法对纳米金刚石的解团聚有一定的效果.但是同时也生成了一部分尺寸更大的团聚体，认为可能是生成了颗粒间的C-O-C键，需要进一步用适当的化学方法进行解离.对这一过程的机理进行了初步讨论.     

用动态激光散射法测定悬浮液中颗粒尺寸分布的一些经验

介绍了用动态激光散射仪测定用炸药爆炸法制备的纳米金刚石粉在水悬浮液中的颗粒尺寸分布时,取得的一些经验和教训.指出,在悬浮液样品制备和测定条件选择上的一些重要因素,必须认真对待,才能得到重复性良好的结果.可供从事此项工作的人士参考.     

添加氧影响下低压金刚石生长的条件

采用非平衡热力学耦合模型研究金刚石在CO-H₂、CO-O₂-H₂体系中的生长情况,计算不同氧含量下的金刚石生长相图,固定氧氢比考察压力变化对金刚石生长区的影响,讨论了不同氧氢含量对金刚石生长区的影响。与经典的平衡热力学理论计算所得的相图不同,本文的相图均有金刚石生长区,可以很好地解释低压下金刚石在气相中的生长,还可以用于指导低压金刚石生长的实验研究。     

毫秒脉冲激光合成超细纳米金刚石

通过热力学和动力学的基本理论, 分析了毫秒脉冲激光照射石墨悬浮液合成超细纳米金刚石的机理. 在毫秒脉冲激光与石墨颗粒相互作用形成的碳蒸气羽中, 通过碳蒸气凝聚形成了金刚石核. 与纳秒脉冲激光相比, 毫秒脉冲激光具有较低的功率密度和较长的脉宽, 为金刚石核的生长提供了较小的过冷度, 使得金刚石核的生长速率减小; 而较小的生长速率也为金刚石表面形成sp2杂化结构提供了机会, 它可以有效降低金刚石核的表面能, 促使金刚石核稳定, 但表面的sp2杂化也阻止了金刚石核的外延. 以上两个原因决定了毫秒激光辐照石墨颗粒过程中只能获得超细的纳米金刚石.     

新金刚石稳定性及晶体结构模型的研究

利用碳黑催化法制备了新金刚石粉末, 并通过粉末X射线衍射(XRD)对不同时效处理后的新金刚石样品进行表征. 结果表明, 新金刚石是一种亚稳态的相, 在室温下, 随着放置时间的推移其晶体结构发生变化. 根据XRD分析和模拟的XRD图谱, 提出了用具有分数占位的“缺陷金刚石”模型来解释新金刚石结构随时间的变化规律. 在该模型中, 原子的占位数χ为0时, 为面心立方结构(FCC), χ为1时, 为金刚石结构. 密度泛函理论计算结果表明, 随χ的增加, 其结构的稳定性也增加. 可见, 新金刚石是由FCC碳向金刚石结构过渡的中间态结构.     

惰气高温萃取-脉冲加热法同时测定人造金刚石中氧和氮

1引言氮是人造金刚石晶体中最常见的杂质,它以可替代方式固溶于人造金刚石中,氮杂质作为人造金刚石的最主要结构缺陷,对晶体本身的光学、热学、电学和机械性能有着重要影响,进而影响其在工业发展和高科技领域中的潜在应用前景[1,2]。氧以微量金属氧化物存在或以可替代方式固溶于人造金刚石中。氧对人造金刚石性能的影响尚未有报道。所     

纳米金刚石拉曼生物探针用于抗菌肽杀菌过程的可视化研究

本工作以纳米金刚石为探针,依赖拉曼成像技术,成功实现了对细菌体系生命活动的观察。实验中将抗菌肽死亡素负载于100nm的金刚石上,利用纳米金刚石在1332cm-1处的特征拉曼信号为标记,通过共聚焦拉曼成像技术可视化了纳米金刚石-死亡素复合物与枯草芽孢杆菌间的相互作用过程。同时,采用扫描电子显微镜观察手段验证了上述拉曼成像方法的有效性。此外,抗菌实验验证了纳米金刚石-死亡素复合物对枯草芽孢杆菌有达到45%的明显杀灭效果,表明纳米金刚石探针的引入不会影响死亡素的抗菌性能。本工作证实了纳米金刚石拉曼生物探针用于观察抗菌过程的可行性,为其在生物成像领域中的应用提供了重要依据。     

金刚石(111)光滑表面上甲基合成金刚石薄膜的成核生长机理

运用量子力学半经验分子轨道AM1方法,计算了金刚石(111)光滑表面上甲基合成金刚石薄膜的成核和生长反应过程的机理,给出反应体系和过渡态的能量.结果表明,甲基是金刚石(111)表面上金刚石成核和外延生长的有效生长成分.     

Diamond Nanowires: Fabrication,Structure, Properties,and Applications

C(sp³)? C‐bonded diamond nanowires are wide band gap semiconductors that exhibit a combination of superior properties such as negative electron affinity, chemical inertness, high Young’s modulus, the highest hardness, and room‐temperature thermal conductivity. The creation of 1D diamond nanowires with their giant surface‐to‐volume ratio enhancements makes it possible to control and enhance the fundamental properties of diamond. Although theoretical comparisons with carbon nanotubes have shown that diamond nanowires are energetically and mechanically viable structures, reproducibly synthesizing the crystalline diamond nanowires has remained challenging. We present a comprehensive, up‐to‐date review of diamond nanowires, including a discussion of their synthesis along with their structures, properties, and applications.     

Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals

To study the relation between the structure of a compound and its properties is one of the fundamental trends in chemistry and materials science. A classic example is the well-known influence of the structures of diamond and graphite on their physicochemical properties, in particular, hardness. However, some other properties of these allotropic modifications of carbon, e.g., fractal properties, are poorly understood. In this work, the spatial series (interatomic distance histograms) calculated using the crystal structures of diamond and graphite are investigated. Hurst exponents H are estimated using detrended fluctuation analysis and power spectral density. The values of H are found to be 0.27–0.32 and 0.37–0.42 for diamond and graphite, respectively. The calculated data suggest that the spatial series have long memory with a negative correlation between the terms of the series; that is, they are antipersistent.     

多体展开势能函数在碳族元素原子簇研究中的应用III. 锗原子族的结构和相对稳定性

基于从晶体锗确立的多体展开势能函数, 本文通过坐标完全优化, 发现小的锗原子簇分子(Ge~2~Ge~14)倾向于形成密堆积结构, 表面原子分布以蝶形四元环(D~2d)为主; 常见立方晶体“微观晶体碎片”的分层优化结果表明, 在Ge~15~Ge~100范围内, 多数壳层的原子到分子中心的距离均受到压缩, 且以畸变的简单立方、面心立方及体心立方较为稳定; 在这些畸变密堆积结构中, 表面原子向内压缩最为严重, 使整个分子趋于球形化。较为开放的金刚石类层状原子族只有当所含原子数达数百以上时才可能相对更为稳定。     

Hydrogen-induced passivation of boron acceptors in monocrystalline and polycrystalline diamond

This paper presents a review of the properties induced by the presence of hydrogen in monocrystalline boron-doped diamond (BDD) and proposes a comparison with results obtained on polycrystalline materials. Hydrogen diffusion, luminescence and electrical properties show the passivation of boron acceptors in diamond by the formation of (B,H) complexes, in both monocrystalline and polycrystalline forms, but at a different level. This behaviour raises open questions concerning the role of structural defects in the passivation of boron impurities by hydrogenation. Based on the assessment of the high thermal stability of (B,H) complexes, this approach leads to a route to provide patterned diamond conductive structures for micro as well as for nanotechnology applications.     

Two-component adhesive based on aqueous emulsion of ED-20 resin for carbon-fiber reinforcement of bearing concrete structures

Use of two-component adhesive based on an aqueous emulsion of ED-20 epoxy resin modified by alkoxysilane and ultrafine particles of diamond UDA-VK, and also of a crosslinking agent Epilink 701 for carbon fiber reinforcement in the system with a carbon fabric of URAL-LO brand of bearing concrete structures was demonstrated. Physical and mechanical properties of an adhesive composition are improved in the case of the joint presence of alkoxysilane and nanoparticles of diamond in it.     

First principles investigation on the ultra‐incompressible and hard TaN

The structural, electronic, and mechanical properties of TaN were investigated by use of the density functional theory (DFT). Eight structures were considered, i.e., hexagonal WC, TaN, NiAs, wurtzite, and CoSn structures, cubic NaCl, zinc‐blende and CsCl structures. The results indicate that TaN in TaN‐type structure is the most stable at ambient conditions among the considered structures. Above 5 GPa, TaN in WC‐type structure becomes energetically the most stable phase. They are also stable both thermodynamically and mechanically. TaN in WC‐type has the largest shear modulus 243 GPa and large bulk modulus 337 GPa among the considered structures. The volume compressibility is slightly larger than diamond, but smaller than c‐BN at pressures from 0 to 100 GPa. The compressibility along the c axis is smaller than the linear compressibility of both diamond and c‐BN. The estimated hardness is 34 GPa. Thus, TaN in WC‐type structure is a potential candidate to be ultra‐incompressible and hard. The unique mechanical properties of TaN in WC‐type structure would make it suitable for applications under extreme conditions. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009     

金刚石纳米线氮空位色心的表面与尺寸效应

使用大规模自旋极化密度泛函理论计算研究了表面修饰和尺寸对金刚石纳米线(DNs)中氮空位(NV)色心的几何结构、 电子结构、 磁性和稳定性的影响. 理论上设计了几种不同的DNs, 这些DNs具有不同的表面修饰(干净、 氢化和氟化), 并且直径达数百个原子. 实验结果证明, 中性(NV⁰)和带1个负电荷(NV^-)的NV色心的电子结构不受半导体表面修饰和DNs直径大小的影响, 但NV色心的稳定性对这两个因素具有不同的响应. 此外, 研究中还发现, 由于DNs中存在圆柱形表面电偶极子层, 对DNs中掺杂的NV^-色心的稳定性, 表面改性诱导了不依赖尺寸的长程效应. 特别地, 对于n型氟化金刚石表面, 掺杂在DN中的NV^-色心可以稳定存在, 而对于p型氢化表面, NV⁰则相对更稳定. 因此, 表面修饰为控制金刚石纳米线中的NV色心的电子结构和稳定性提供了一种精确有效的调控方法.     

Clusters as crystal fragments of silicon bulk

Silicon clusters of 13 to 43 atoms were studied with the semi-empirical method SINDO1. Crystalline structures of face-centered cubic (fcc), hexagonal close packed (hcp) and diamond type and noncrystalline structures of icosahedral type were compared. Noncrystalline structures are most stable for clusters up to 13 atoms. Clusters with 19 and more atoms of the fcc structure are preferable to the less dense diamond structure. With more than 35 Si atoms, the diamond structure is favored over the hcp structure. The binding energy of fcc and hcp structures decreases and that of the diamond structure increases with increasing cluster size. A similar trend is observed for the HOMO-LUMO energy gap which is taken as a measure of the band gap.     

Zeolite framework silicon allotropes with direct band gap

It is a significant issue in the field of semiconductor devices and optoelectronic devices to find silicon allotropes with high mobility, direct band gap and high light absorption to replace traditional diamond silicon (d-Si). By constructing a zeolite framework, fifteen silicon allotropes with a direct band gap of 0.47–1.66 eV were screened from hundreds of zeolite framework silicon allotropes by ab initio calculations. The crystal structures, stability, effective mass, mechanical, electronic and optical properties were comprehensively studied. Compared with diamond silicon, several allotropes showed easy doping, low carrier effective mass and high absorption of the solar spectrum, which indicate promising candidates for adoption in photovoltaic applications.     

点石成金——人造钻石的真相

"A diamond is forever", diamond is not only seen as a kind of precious stones, but also used in industry. With technology and science continuing to develop, synthetic diamond is developing rapidly. To answer readers' confusion of synthetic diamond, there is a wonderful story, which tells readers about structure and properties of graphite and diamond, the basic method and catalysis of synthetic diamond.