Raman spectra of nitrogen-doped tetrahedral amorphous carbon from first principles

The non-resonant vibrational Raman spectra of nitrogen-doped tetrahedral amorphous carbon have been calculated from first principles, including the generation of a structural model, and the calculation of vibrational frequencies, vibrational eigenmodes and Raman coupling tensors. The calculated Raman spectra are in good agreement with the experimental results. The broad band at around 500 cm^-1 arises from mixed bonds. The T peak originates from the vibrations of sp^3 carbon and the G peak comes from the stretching vibrations of sp^2-type bonding of C=C and C=N. The simulation results indicate the direct contribution of N vibrations to Raman spectra.     

Selective interfacial bonding and thermal conductivity of diamond/Cu-alloy composites prepared by HPHT technique

Cu-based and Cu-alloy-based diamond composites were made by high-pressure-high-temperature (HPHT) sintering with the aim of maximizing the thermal conductivity of the composites. Improvements in interfacial bonding strength and thermo-physical properties of the composites were achieved using an atomized copper alloy with minor additions of Co, Cr, B, and Ti. The thermal conductivity (TC) obtained exhibited as high as 688 W·m-1·K-1, but also as low as 325 W·m-1·K-1. A large variation in TC can be rationalized by the discrepancy of diamond-matrix interfacial bonding. It was found from fractography that preferential bonding between diamond and the Cu-alloy matrix occurred only on the diamond {100} faces. EDS analysis and Raman spectra suggested that selective interfacial bonding may be attributed to amorphous carbon increasing the wettability between diamond and the Cu-alloy matrix. Amorphous carbon was found to significantly affect the TC of the composite by interface modification.     

Correlation between structure and hardness of magnetron sputtering deposited CNx films

Carbon nitride films are deposited on Si (001) substrates by reactive dc magnetron sputtering graphite in a pure N2 discharge. The structure of carbon nitride films has been probed using Fourier transformation infrared, near edge X-ray absorption fine structure (NEXAFS) and high resolution electron microscopy (HREM), and the hardness has been evaluated in nanoin-dentation experiments. FTIR spectra show that N atoms are bound to sp1, sp2, and sp3 hybridized C atoms. C1s NEXAFS spectra show that the intensity of π* resonance is the lowest for the film grown at substrate temperature TS = 350℃, with a turbostratic-like structure and high hardness, while it is the highest for the film grown at TS = 100℃, with an amorphous structure and low hardness. The correlation between the structure and hardness of carbon nitride films has been discussed.     

磁控溅射法制备非晶碳膜及其光学特性

利用射频磁控溅射法成功制备了类金刚石薄膜,研究了溅射功率和基片温度对所沉积薄膜的的影响,对所制备的类金刚石薄膜用拉曼光谱、紫外光谱进行表征,所沉积的类金刚石碳薄膜是簇状分布的ＳＰ＾２碳键和网状分布的ＳＰ３碳键互相随机交织的一起的非晶 研究了非晶碳膜的光学性质和电学性质,探索了制备各种不同带隙非晶碳膜的工艺条件,为该类的实际应用提供了可靠的实验依据。     

V掺杂对类金刚石薄膜性能的影响

通过磁控溅射的方法,使用石墨靶、V靶复合拼接靶,以氩气作为辅助气体,成功制备了不同原子分数的V掺杂类金刚石薄膜。采用拉曼光谱仪、电子探针X射线显微分析仪、X射线光电子能谱仪、原子力显微镜、扫描电子显微镜、纳米压痕仪、薄膜应力仪、往复摩擦磨损试验机等设备研究了V掺杂对类金刚石薄膜微观结构、力学性能、摩擦学性能的影响。结果表明,V掺杂提高了类金刚石薄膜的力学性能,当薄膜中V的原子分数为54.28%时,薄膜的硬度和弹性模量分别为14.1 GPa和147.6 GPa。掺杂V后,薄膜中生成了V₂O₅,降低了薄膜的耐磨性能。这主要是因为V促进了sp³杂化C数量的增加,并且在摩擦过程中,薄膜中的sp³杂化C的数量进一步增加,导致其硬度升高,耐磨性能下降。     

分级多孔纳米炭纤维的结构及电容性能

以酚醛树脂为碳源、PVP为纺丝助剂、纳米MgO颗粒为模板剂,通过静电纺丝法制得酚醛树脂基纳米炭纤维,经过炭化、KOH活化、酸洗后得到分级多孔纳米炭纤维,利用SEM、XRD、XPS、拉曼光谱仪及氮气吸脱附实验,对所制多孔纳米炭纤维的结构和形貌进行表征,并将其作为模拟电容器的电极,利用循环伏安、恒电流充放电及交流阻抗方法测试了材料的电化学性能。结果表明,KOH活化引入了数量可观的微孔,所得纳米炭纤维表现出明显的"微孔-中孔-大孔"分级孔分布的特点,其比表面积达到1058.4m~2/g,总孔容为1.64cm~3/g。电化学测试结果表明,所制分级多孔纳米炭纤维在6mol/L KOH电解液中显示出优异的电容性能,在0.2A/g的电流密度下,其放电比容量达到198F/g,在20A/g电流密度下,电容保持率达到65%。     

The Escherichia coli O157:H7 DNA detection on a gold nanoparticle-enhanced piezoelectric biosensor

This paper presents development of a quartz crystal microbalance （QCM） biosensor for real-time detection of E. coil O157：H7 DNA based on nanogold particles amplification. Many inner Au nanoparticles were immobilized onto the thioled surface of the Au electrode, then more specific thiolated sin- gle-stranded DNA （ssDNA） probes could be fixed through Au-SH bonding. The hybridization was induced by exposing the ssDNA probe to the complementary target DNA of E. coli O157：H7 gene eaeA, then resulted in a mass change and corresponding frequency shifts （ △f ） of the QCM. The outer avidin-coated Au nanoparticles could combine with the target DNA to increase the mass. The electrochemical techniques, cyclic voltammetry （CV） and electrochemical impedance spectroscopy （EIS） were adopted to manifest and character each step. The target DNA corresponding to 2.0×10^3 colony forming unit （CFU）/mL E. coil O157：H7 cells can be detected by this biosensor, so it is practical to develop a sensitive and effective QCM biosensor for pathogenic bacteria detection based on specific DNA analysis. The piezoelectric biosensing system has potential for further applications, such as food safety and environment monitoring, and this approach lays the groundwork for incorporating the method into an integrated system for in-field bacteria detection.     

Growth of graphite film over the tops of vertical carbon nanotubes using Ni/Ti/Si substrate

A substrate with Ni/Ti/Si structure was used to grow vertical carbon nanotubes (CNTs) with a graphite fihn over CNT tops by thermal chemical vapor deposition with CH₄ gas as carbon source. The carbon nanotubes and the substrate were characterized by a field emission scanning electron microscope for the morphologies, a transmission electron microscope for the microstructures, a Raman spectrograph for the ctystallinity, and an Auger electron spectrometer for the depth distribution of elements. The result shows that when the thickness ratio of Ni layer to Ti layer in substrate is about 1, a graphite film with relatively good quality can be formed on the CNT tops.     

反应等离子体制备碳锥及其表征

利用等离子体增强热丝化学气相沉积系统,用CH4、H2和NH3为反应气体,分别在沉积有钛膜和碳膜的Si片衬底上制备了锥形碳结构,采用场发射扫描电子显微镜(FESEM)、X射线能谱仪(EDX)和显微Raman光谱仪对其形貌和结构进行了表征.SEM结果表明在沉积有碳膜的Si片衬底上易形成碳锥,EDX谱和Raman谱进一步表明形成的碳锥为碳氮结构,由sp3 C-N、sp2 C和sp2 C=N键形成.根据溅射机制和扩散机制,分析了碳锥的形成.同时,还对碳锥Raman谱的荧光背景进行了分析,结果表明由于氮的掺杂,使得碳锥由非极性的碳材料变成为极性碳材料.     

Modulation structure stability of heat-treated Co/C and CoN/CN soft X-ray multilayers

Modulation structure stability of Co/C and CoN/CN soft X ray multilayers has been investigated by X ray diffraction and Raman spectroscopy. The graphitization of the amorphous carbon layers in Co/C multilayers causes a period expansion of 12% at annealing temperatures below 400℃. An enormous period expansion (～40%) induced by the crystallization and agglomeration of Co layers has been observed at 500℃. While the period expansion of CoN/CN multilayers is only 4% at 400℃. The interface pattern of the CoN/CN multilayers still exists even if they were annealed at 700℃. The relatively good thermal stability of CoN/CN multilayers can be attributed to the suppression of the formation of the sp 3 bonding and, at annealing temperatures higher than the phase transition temperature of 420℃ (from hcp to fcc), the coexistence of hcp and fcc Co structures through doping nitrogen.     

预制层结构对CZTS薄膜微观组织和光学性能的影响

研究了叠层顺序对磁控溅射沉积铜锌锡硫（CZTS）吸收层的微观结构、表面形貌和光学性能的影响.试验结果表明：当预制层结构为Cu/ZnS/SnS₂时,制备的CZTS薄膜在（112）晶面具有择优生长取向,并具有较好的结晶一致性,在288,335和368 cm^-1处呈现出特征拉曼（Raman）峰,薄膜表面晶粒较大、形状规则、薄膜空隙较少、比较致密,可见光范围内的吸收系数较高,光学带隙1.5 eV,适合作为CZTS薄膜太阳能电池的吸收层;当预制层结构为SnS₂/Cu/ZnS和ZnS/SnS₂/Cu时,由于在预制层硫化过程中造成一定的Zn和Sn流失,使CZTS薄膜中含有CuS杂相,导致薄膜表面质量下降,禁带宽度增加,不适合做CZTS薄膜太阳能电池的吸收层.     

Investigation of nanocrystalline structure in selected carbonaceous materials

The structural parameters of nine Indian coals were determined by X-ray diffraction (XRD) and Raman spectroscopy. The study revealed that the coals contain crystalline carbon of turbostratic structure with amorphous carbon. The stacking height (L_c) and interlayer spacing (d₀₀₂) of the crystallite structure of the coals ranged from 1.986 to 2.373 nm and from 0.334 to 0.340 nm, respectively. The degree of graphitization was calculated to range from 42% to 99%, thereby confirming the ordering of the carbon layers with the increase in coal rank. An exponential correlation was observed among the aromaticity (f_a), the lateral size (L_a), and the rank (I₂₀/I₂₆), suggesting that the coal crystallites are nanocrystalline in nature. A very strong correlation was observed between the structural parameters (f_a, d₀₀₂, L_c, the H/C ratio, and I₂₀/I₂₆), the volatile matter content, and the elemental carbon content, indicating the structures of coals are controlled by the degree of contact metamorphism. The Raman spectra exhibited two prominent bands: the graphitic band (G) and the first-order characteristic defect band (D). The deconvolution resulted in five peaks: G, D1, D2, D3, and D4. The intense D1 band, which appeared at ~1350 cm?1, corresponds to a lattice vibration mode with A_1g symmetry. The D2 mode, which appeared at ~1610 cm?1, arises from the structural disorder as a shoulder on the G band.     

Chemical leaching of an Indian bituminous coal and characterization of the products by vibrational spectroscopic techniques

High volatile bituminous coal was demineralized by a chemical method. The vibrations of the "aromatics" structure of graphite, crystalline or non-crystalline, were observed in the spectra at the 1600 cm-1 region. The band at 1477 cm-1 is assigned as V_R band, the band at 1392 cm-1 as V_L band and the band at 1540 cm-1 as G_R band. Graphite structure remains after chemical leaching liberates oxygenated functional groups and mineral groups. The silicate bands between 1010 and 1100 cm-1 are active in the infrared (IR) spectrum but inactive in the Raman spectrum. Absorption arising from C-H stretching in alkenes occurs in the region of 3000 to 2840 cm-1. Raman bands because of symmetric stretch of water molecules were also observed in the spectrum at 3250 cm-1 and 3450 cm-1. Scanning electron microscopy analysis revealed the presence of a graphite layer on the surface. Leaching of the sample with hydrofluoric acid decreases the mineral phase and increases the carbon content. The ash content is reduced by 84.5wt% with leaching from its initial value by mainly removing aluminum and silicate containing minerals.     

丝网印刷法制备纸质SERS基底及其性能研究

以绘画纸、白卡纸和坐标纸为衬底,采用丝网印刷银油墨,制备了高效的表面增强拉曼散射(SERS)基底,结果表明:银薄膜/绘画纸的SERS活性最佳,其次是银薄膜/白卡纸和银薄膜/坐标纸,对结晶紫的最低检测限分别为10-8,10-7和10-7 mol·L-1.此外,在同一银薄膜/绘画纸表面随机选取10个不同位置,在特征峰913...     

Effect of thickness on structures of ultrathin diamond-like carbon films

Diamond-like carbon (DLC) films with different thickness were deposited by filtered cathode vacuum arc (FCVA). Vis-Raman and spectroscopic ellipsometry were employed to analyze the structure of DLC films. The wavelength of Vis-Raman is 514.5 nm. Experimental results show that structures of DLC films are affected by film thicknesses. When the film thickness increases from 2 to 30 nm, the G-peak position (G-pos) shifts to higher wavelength, the intensity ratio I_D/I_G and the extinction coefficient Ks decrease. It is indicated that the content of sp3 bond increases with film thickness. However, when the film thickness increases from 30 nm to 50 nm, I_D/I_G and Ks increase. The content of sp³ bonds decreases with film thickness.     

鲜枣中糖精的快速、无标签检测

糖精是食品工业中最古老的人造甜味剂之一,因为没有卡路里而被广泛使用,但其滥用是非法的,食品中最大允许添加量为8.189×10^-4mol·L^-1.介绍了以六磷酸肌醇（IP₆）为保护剂合成的银（Ag）纳米粒子（Ag NPs）,即Ag NPs@IP₆,并提出了一种基于表面增强拉曼散射（SERS）的快速方法.探讨了食品中糖精的测定,用最佳SERS法测定水中糖精的最低可检测浓度可达50 nmol·L^-1,符合食品添加剂耐受性水平的国家食品安全标准.提出了基于便携式拉曼的AgNPs@IP₆的SERS方法,可用于现场检测食品中的糖精,如新鲜枣果.     

Grafting of thermoresponsive polymer from the surfaceof functionalized multiwalled carbon nanotubes via atom transfer radical polymerization

Multiwalled carbon nanotubes were oxidized with concentrated HNO3 and H2SO4 to introduce carboxylic groups onto carbon nanotubes surfaces. The oxidized carbon nanotubes were reacted subsequently with thionyl chloride and 2-Hydroxylethyl-2＇-bromoisobutyrate, producing MWNT-based macroinitiators, MWNT-Br, for the atom transfer radical polymerization of （N-isopropylacrylamide）. FTIR, XPS, ^1H NMR, Raman and TGA were used to characterize the resulting products and to determine the content of the water-soluble poly （N-isopropylacrylamide） chains in the product. The MWNTs grafted with PNIPAM chains have good solubility in distilled water; THF and CHCl3. TEM images of the samples provide direct evidence for the formation of a nanostructure that MWNTs coated with polymer layer. The produced MWNT-g-PNIPAM has a PNIPAM shell, which is very sensitive to the change of temperature. This method would open a door for the fabrication of novel functional carbon nanotube-based nanomaterials or nanodevices with designable structure and tailor-made properties.     

Synthesis of single-walled carbon nanotubes by the vertical floating catalyst method

The vertical floating catalyst method is first used to produce single-walled carbon nanotubes (SWNTs) continuously on a large scale by a newly developed technique and pyrolysis of n-hexane. Diameter distributions, microstructure and purity of the SWNTs film, rope and web are measured by Raman spectroscopy and electron microscope. The results show that SWNTs product has a high degree of orientation, a wide distribution of diameters (0.7–2.0 nm) and high purity of >80%.     

室温沉积碳氮薄膜的成键分析

在前文对碳氮薄膜结构研究的基础上,分析了室温沉积碳氮薄膜的成键状况。结果发现,氮、碳ＸＰＳ结合能之差随氮碳原子比的增加而线性地减小;碳、氮峰可以分解为若干个子峰,但与化合物Ｃ３Ｎ４难以建立明显的联系。红外吸收和喇曼散射显示出类似的结果。因此,应对碳氮薄膜的检测结果持更审慎的态度。     

Conductive and corrosion behaviors of silver-doped carbon-coated stainless steel as PEMFC bipolar plates

Ni–Cr enrichment on stainless steel SS316L resulting from chemical activation enabled the deposition of carbon by spraying a stable suspension of carbon nanoparticles; trace Ag was deposited in situ to prepare a thin continuous Ag-doped carbon film on a porous carbon-coated SS316L substrate. The corrosion resistance of this film in 0.5 mol·L-1 H₂SO₄ solution containing 5 ppm F- at 80℃ was investigated using polarization tests. The results showed that the surface treatment of the SS316L strongly affected the adhesion of the carbon coating to the stainless steel. Compared to the bare SS316L, the Ag-doped carbon-coated SS316L bipolar plate was remarkably more stable in both the anode and cathode environments of proton exchange membrane fuel cell (PEMFC) and the interface contact resistance between the specimen and Toray 060 carbon paper was reduced from 333.0 mΩ·cm2 to 21.6 mΩ·cm2 at a compaction pressure of 1.2 MPa.