常压CVD法合成铌掺杂少层MoS2

利用粉体NbCl₅作为Nb掺杂源,采用常压CVD方法合成了大尺寸Nb掺杂的少层MoS₂薄膜。通过扫描电子显微镜和原子力显微镜观察获得了该薄膜样品的形貌和厚度信息。拉曼光谱和X射线光电子谱测试证实了Nb被掺入到了MoS₂薄膜中,Nb掺杂的MoS₂合金薄膜已经形成。最后,对Nb掺杂的少层MoS₂薄膜的电学性质进行了测试。     

Te掺杂单层MoS2的电子结构与光电性质

采用基于密度泛函理论的第一性原理计算,研究了Te掺杂对单层MoS₂能带结构、电子态密度和光电性质的影响。结果表明,本征单层MoS₂属于直接带隙半导体材料,其禁带宽度为1.64 eV。本征单层MoS₂的价带顶主要由S-3p态电子和Mo-4d态电子构成,而其导带底则主要由Mo-4d态电子和S-3p态电子共同决定;Te掺杂单层MoS₂为间接带隙半导体材料,其禁带宽度为1.47 eV。同时通过Te掺杂,使单层MoS₂的静态介电常数增大,禁带宽度变窄,吸收光谱产生红移,研究结果为单层MoS₂在光电器件方面的应用提供了理论基础。     

高能238U离子辐照AlN 晶体薄膜的光学特性研究

通过傅里叶变换红外光谱、拉曼光谱和光致发光谱测试手段分析了由HIRFL 提供的高能238U离子辐照AlN 晶体薄膜的光学特性变化。辐照后出现了A1(To),A1(Lo),E1(To) 和E2 等声子振动吸收模式,并且辐照使其在样品近表面Al—N 等振动模式遭到破坏后悬空的Al— 键很快与空气中的O离子发生结合,形成了Al—O 键。综合分析得出了蓝光发射带是与O 离子相关的VAl-ON-3N 和VAl-2ON-2N两种类型缺陷以及F-型缺陷聚合所致;绿光发射带是由基底中Al 原子产生的价带之间的跃迁所致。AlN thin film irradiated with 100 MeV 238U ions delivered from HIRFL (Heavy Ion Research Facility in Lanzhou) were investigated by Fourier Transform Infrared spectra, Raman spectra and Photoluminescence spectra. Phonon vibration absorption modes including A1(To), A1(Lo), E1(To) and E2 appeared in the irradiated samples. The irradiation made the Al—N bonds broken and the formation of Al—dangling bonds, which combined soon with oxygen atoms existing in air to form Al—O bonds. Blue light emission band are related to the two types of defects of VAl-ON-3N and VAl-2ON-2N and F-type defects aggregation. Green light emission band is due to energy transition among valence band of Al atoms in sapphire substrate.     

单层MoS2掺杂Au、 Ag光学性质的第一性原理研究

二维材料因其优异的光电性能、可调的能带结构广泛应用于传感电子领域,如场效应晶体管、拉曼增强基底、光电探测器等光电子器件。通过掺杂可以将材料改性进而提高材料的载流子浓度和电导率,这将增强材料界面处的电荷转移从而调控材料的光电特性。本文搭建了单层MoS₂以及在MoS₂晶胞中掺杂Au、 Ag原子,通过理论计算得到材料的介电函数、光吸收谱和反射谱,为该材料在光电领域的应用提供理论依据。     

掺杂对MoS2吸附H2的电子结构影响

本文应用Materials Studio软件对MoS₂分别进行了Si、O、N原子的替换掺杂,以探究掺杂和吸附对MoS₂材料的电子结构的影响。研究发现：稳定性由强到弱依次为：O-MoS2-H₂、MoS₂-H₂、N-MoS₂-H₂、Si-MoS₂-H₂,即O-MoS₂-H₂的形成能最低,为相对最稳定的结构;掺杂后体系的成键形式更有可能为离子键;吸附和掺杂均能影响MoS₂电子结构,MoS₂-H₂、O-MoS₂-H₂、Si-MoS₂-H₂能隙值处于0～2.0eV之间,体系表现为半导体性,N-MoS₂-H₂能隙值为0eV,体系表现为金属性;掺杂体系中总态密度主要是...     

MoS2/SiO2界面黏附性能的尺寸和温度效应

探索二维材料与其衬底之间的黏附性能对于二维材料的制备、转移以及器件性能的优化至关重要.本文基于原子键弛豫理论和连续介质力学方法,系统研究了尺寸和温度对MoS₂/SiO₂界面黏附性能的影响.结果表明,由于表面效应引起的热膨胀系数、晶格应变和杨氏模量的变化, MoS₂/SiO₂界面黏附能随MoS₂厚度的减小而增大,而热应变使MoS₂/SiO₂界面黏附能随温度的升高而逐渐降低.此外,预测了在不同尺寸和温度下MoS₂在SiO₂衬底上的“脱落”条件,系统阐述了MoS₂与SiO₂衬底之间黏附性能的物理机制,为基于二维材料电子器件的优化设计提供了理论基础.     

快重离子辐照对MoS2热导率的影响研究

利用0.97 GeV的209Bi离子辐照二硫化钼（MoS₂）晶体,辐照注量范围为1×1010～1×1012 ions/cm2,结合原子力显微镜（AFM）观测和Raman光谱分析研究了快重离子辐照对MoS₂热导率的影响。实验结果显示,快重离子辐照在MoS₂中产生了潜径迹,较高激光功率下的Raman测试使样品局部温度升高,导致E_1/2g和A_1g峰随注量增加向低波数方向移动,且峰形展宽。引入了通过改变激光功率测量Raman光谱得到MoS₂热导率的计算方法,获得了不同辐照注量下MoS₂的热导率的定量分析结果,随注量增加,热导率不断降低,从未辐照样品的563 W/mK下降到1×1012 ions/cm2辐照时的132 W/mK。Molybdenum disulphide (MoS₂) was irradiated by 0.97 GeV 209Bi ions with the fluence of 1×1010 to 1×1012 ions/cm2. The irradiation effect on the thermal conductivity of MoS₂ was analyzed by atomic force microscope (AFM) and Raman spectroscopy. The experimental results show that hillock-like latent tracks are observed on irradiated MoS₂ by AFM. The measurement of MoS₂ by Raman spectrometer with high laser power results in the increase of local temperature of MoS₂, which cause the downshift of peaks position and broadening of E_1/2g and A_1g peak. Furthermore, according to Raman spectra measured at different laser power, thermal conductivity of MoS₂ before and after irradiation was calculated, which show that the thermal conductivity of MoS₂ decreases with increasing fluence, from 563 to 132 W/mK for pristine and 1×1012 ions/cm2 irradiated MoS₂, respectively.     

退火对Pb辐照Al2O3单晶发光特性的影响

研究了230MeV的²⁰⁸Pb²⁷⁺辐照Al₂O₃样品及随后在600,900,1100K高温条件下退火后的光致发光特性。从辐照样品的测试结果可以清楚地看到在波长为390,450nm处出现了强的发光峰。辐照量为1×10¹³ions/cm²时,样品的发光峰最强。经过600K退火2h后测试结果显示,380nm发光峰剧烈增强,而其他发光峰显示不明显。在900K退火条件下,380nm的发光峰开始减弱,而在360,510nm出现了明显的发光峰,至到1100K退火完毕后380nm的发光峰完全消失,而360,510nm的发光峰相对增强。从被辐照样品的FTIR谱中看到,波数在460~510cm^-1间的吸收是振动模式,经过离子辐照后,吸收带展宽,随着辐照量的增大,Al₂O₃振动吸收峰消失,说明Al₂O₃振动模式被完全破坏。1000~1300cm^-1之间为Al—O—Al桥氧的伸缩振动模式,辐照后吸收带向高波数方向移动,说明其振动模式受到影响。辐照剂量较小的样品,损伤程度相对较低,经退火晶化后,振动模式基本恢复到单晶状态;辐照剂量较高的样品,损伤程度大,退火处理后表面变得较粗糙,振动模式并未出现,说明结构破坏严重。     

不同载荷及转速条件下MoS2涂层的摩擦磨损性能研究

为获得二硫化钼(MoS₂)涂层在聚变堆部件表面使用条件下的摩擦磨损特性,采用单极性脉冲磁控溅射技术在铁铬镍基高温合金A286上制备了厚度为2μm的MoS₂涂层,并针对MoS₂涂层在不同载荷及转速条件下的摩擦学性能展开了研究。经验证,沉积的MoS₂涂层结晶度较好,沿(002)面择优取向;随测试转速的增加,摩擦系数逐渐减小,在转速为50r·min^-1时,摩擦系数平均值为0.0722;在转速固定时,摩擦系数随测试载荷的增加先减小后增大,当载荷为7N时达到最小平均值0.0763。     

85MeV19F重离子辐照α–Al2O3的空洞研究

5.28×10¹⁶cm^－2 85MeV¹⁹F辐照的αAl₂O₃中,在其热退火过程中采用正电子湮没方法首次观察到了空洞.450℃退火开始产生空洞,550℃到750℃空洞半径约为0.29nm不随温度变化,但浓度随温度增加而增加;高于750℃,空洞半径随温度升高迅速增大,1050℃时空洞的半径达1.10nm.     

Theoretical study of thermoelectric properties of MoS2

We systematically studied the thermoelectric properties of MoS2 with doping based on the Boltzmann transport theory and first-principles calculations. We obtained an optimal doping region(around 1019cm 3) for thermoelectric properties along in-plane and cross-plane directions. MoS2in the optimal doping region has a vanishingly small anisotropy of thermopower possibly due to the decoupling of in-plane and cross-plane conduction channels, but big anisotropies of electrical conductivity σ and electronic thermal conductivity κearising from the anisotropic electronic scattering time. The κeis comparable to the lattice counterpart κlin the plane, while κldominates over κeacross the plane. The figure of merit ZT can reach 0.1 at around 700 K with in-plane direction preferred by doping.     

Microstructure and tribological properties of WS2/MoS2 multilayer films

In this paper, a novel method, namely, magnetron sputtering and low temperature ion sulfurizing combined technique was used to fabricate the solid lubrication WS₂/MoS₂ multilayer films. Scanning Electron Microscopy (SEM) was used to observe the surface and worn scar morphologies. X-ray diffraction (XRD) was utilized to analyze the phase structure. The nano-hardness and elastic modulus of WS₂/MoS₂ multilayer films were surveyed by the nano-indentation tester. The friction and wear test were conducted on a ball-on-disk wear tester under dry sliding condition. The results obtained showed that the WS₂/MoS₂ multilayer films exhibited a lower friction coefficient and better wear-resistance when compared with single WS₂ film and original 1045 steel.     

二硫化钼纳米点中的缺陷辅助载流子俘获超快动力学

二硫化钼纳米点正在成为有潜质的半导体材料用于光电设备的应用.然而,关于对其中激子动力学的研究却很少.本文利用飞秒瞬态吸收光谱学来研究二硫化钼纳米点的载流子动力学.结果显示,缺陷辅助的载流子再复合过程与观测到的动力学相符,通过俄歇散射对光激载流子进行俘获至少存在两种不同俘获速率的缺陷.四个过程参与了载流子驰豫,在受到光激发后,立即在~0.5 ps内载流子冷却,然后大部分载流子被缺陷快速俘获,随着泵浦能量的增加,该过程对应的时间从~4.9 ps增加到~9.2 ps,这可以用缺陷态的饱和来解释.接下来,拥有相对慢的载流子俘获速率的其它类型缺陷对小部分载流子进行俘获,该过程约65 ps.最后,剩余的少量载流子通过直接带间跃迁发生电子-空穴再复合,时间约为1 ns.研究结果可以深入了解二硫化钼纳米点中的载流子动力学基本原理,引导其更多的应用.     

Electrodeposited nickel-cobalt composite coating containing MoS2

Ni-Co/MoS₂ composite coatings were prepared by electrodeposition in a Ni-Co plating bath containing nano-sized MoS₂ particles to be co-deposited. The polarization behavior of the composite plating bath was examined on a PAR-273A potentiostat/galvanostat device. The friction and wear behaviors of the Ni-Co/MoS₂ composite coatings were evaluated with UMT-2MT test rig in a ball-on-disk contact mode. The morphologies of the original and worn surfaces of the composite coatings were observed on scanning electron microscope (SEM). It was found that the introduction of MoS₂ nano-particulates in the electrolyte caused the shift towards larger negatives of the reduction potential of the Ni-Co alloy coating, and the co-deposited MoS₂ showed no significant effect on the electrodeposition process of the Ni-Co alloy coating. However, the co-deposited MoS₂ led to changes in the surface morphology and structure of the composite coating as well. Namely, the peak width of the Ni-Co solid solution for the composite coating is broader as compared to that of the Ni-Co alloy coating. The co-deposited MoS₂ particulates were uniformly distributed in the Ni-Co matrix and contributed to increase tribological properties of the Ni-Co alloy coating.     

25 MeV/u Kr辐照下PET薄膜的损伤机制研究

通过25 MeV/u 86 Kr离子辐照叠层结晶聚对苯二甲酸乙二醇酯膜（PET）, 在不同的电子能损（3.40-7.25 keV/nm）和离子注量(5×1011----3×1012 ions/cm2)辐照条件下, 对Kr离子在PET中引起的辐照损伤效应进行了研究。借助傅里叶变换红外光谱分析,通过对样品的红外吸收峰进行扣除基底后的Lorentz拟合,分析了与主要官能团对应的吸收峰强度的变化趋势, 研究了化学结构与组分在重离子辐照下的变化规律; 利用X射线衍射光谱仪测量, 研究了Kr离子在PET潜径迹中引起的非晶化过程,并通过对吸光度和非晶化强度随离子注量的指数衰减规律的分析, 获得了不同电子能损离子辐照PET时主要官能团的损伤截面和非晶化截面及对应的潜径迹半径。 At room temperature, polyethylene terephthalate(PET) foil stacks were irradiated by 25 MeV/u Kr ions in the electronic stopping power range(3.3--7.66 keV/nm) and the fluence range from 5×1011 to 3×1012 ions/cm2. The behaviour of the main function groups with fluence and electronic stopping power were studied by using Fourier transform infrared(FTIR) spectroscopy, the degradation of the function group was investigated with the Lorentz fitting subtracted baseline. The amorphous processes in the latent tracks of PET were studied by X ray diffraction(XRD) measurements. The Kr ion induced degradation cross section and amorphisation cross sections(radii) for different electronic energy loss were acquired from the experimental data(FT IR and XRD) by exponential decay function respectively.      

Morphological effect of MoS2 nanoparticles on catalytic oxidation and vacuum lubrication

The closed layered MoS₂ nano-balls and the opened layered MoS₂ nano-slices were prepared by decomposing MoS₃ in hydrogen atmosphere. The obtained MoS₂ nanoparticles were respectively used as catalysts for S²⁻ oxidation into SO₄²⁻ and lubricating fillers in polyoxymethylene (POM) plastic. Only basal surface could be found in the closed layered MoS₂ nano-balls, which represented very low catalytic efficiency for S²⁻ oxidation into SO₄²⁻. However, the opened layered MoS₂ nano-slices were of both basal surface and rim-edge surface and showed excellent catalytic properties. Moreover, it was shown that MoS₂ nano-balls could improve the self-lubrication of POM plastic in vacuum. However, MoS₂ nano-slices led to the obvious degradation of POM, implying it is not a proper additive for POM. The high activity of MoS₂ nano-slices for catalyzing S²⁻oxidation and degrading POM was ascribed to their small sizes and partly wedge-like shapes, which led to a considerable increase in the rim sites. The weak catalysis and excellent lubrication of MoS₂ nano-balls were resulted from its closed structure and chemical inertness.     

XPS investigation of diffusion of two-layer ZrO2/SiO2 and SiO2/ZrO2 sol–gel films

Two-layer ZrO₂/SiO₂ and SiO₂/ZrO₂ films were deposited on K9 glass substrates by sol–gel dip coating method. X-ray photoelectron spectroscopy (XPS) technique was used to investigate the diffusion of ZrO₂/SiO₂ and SiO₂/ZrO₂ films. To explain the difference of diffusion between ZrO₂/SiO₂ and SiO₂/ZrO₂ films, porous ratio and surface morphology of monolayer SiO₂ and ZrO₂ films were analyzed by using ellipsometry and atomic force microscopy (AFM). We found that for the ZrO₂/SiO₂ films there was a diffusion layer with a certain thickness and the atomic concentrations of Si and Zr changed rapidly; for the SiO₂/ZrO₂ films, the atomic concentrations of Si and Zr changed relatively slowly, and the ZrO₂ layer had diffused through the entire SiO₂ layer. The difference of diffusion between ZrO₂/SiO₂ and SiO₂/ZrO₂ films was influenced by the microstructure of SiO₂ and ZrO₂.     

Surface roughness analysis of hydrophilic SiO2/TiO2/glass nano bilayers by the level crossing approach

The effect of etching time on the statistical properties of hydrophilic surfaces of SiO₂/TiO₂/glass nano bilayers has been studied using atomic force microscopy (AFM) and a stochastic approach based on a level crossing analysis. We have created rough surfaces of the hydrophilic SiO₂/TiO₂ nano bilayer system by using 26% potassium hydroxide (KOH) solution. Measuring the average apparent contact angle allowed us to assess the degree of hydrophilicity, and the optimum condition was determined to be 10 min etching time. A level crossing analysis based on AFM images provided deeper insight into the microscopic details of the surface topography. With different etching times, it has been shown that the average frequency of visiting a height with positive slope behaves in a Gaussian manner for heights near the mean value and obeys a power law for heights far away from the mean value. Finally, by applying the generalized total number of crossings with positive slope, it was found that the both high heights and deep valleys of the surface have a great effect on the hydrophilic degree of the SiO₂/TiO₂/glass nano bilayer investigated system.     

Effects of V-shaped edge defect and H-saturation on spin-dependent electronic transport of zigzag MoS2 nanoribbons

Based on nonequilibrium Green's function in combination with density functional theory calculations, the spin-dependent electronic transport properties of one-dimensional zigzag molybdenum disulfide (MoS₂) nanoribbons with V-shaped defect and H-saturation on the edges have been studied. Our results show that the spin-polarized transport properties can be found in all the considered zigzag MoS₂ nanoribbons systems. The edge defects, especially the V-shaped defect on the Mo edge, and H-saturation on the edges can suppress the electronic transport of the systems. Also, the spin-filtering and negative differential resistance behaviors can be observed obviously. The mechanisms are proposed for these phenomena.     

CO2 laser assisted removal of UO2 and ThO2 particulates from metal surface

Pulsed laser assisted removal of uranium dioxide and thorium dioxide particulates from stainless steel surface have been studied using a TEA CO₂ laser. Decontamination efficiency is measured as a function of laser fluence and number of pulses. Threshold fluence for the removal of UO₂ particulates has been found to be lower than that required for the removal ThO₂ particulates. Usage of a ZnSe substrate, that is transparent to the laser wavelength used here, enabled us to decouple the cleaning effect arising out of absorption in the particulates from that in the substrate and has contributed towards understanding the mechanism responsible for cleaning. The experimental observations are also corroborated by simple theoretical calculations.