金属基底对石墨烯薄膜阴极气体击穿稳定性影响

利用石墨烯二维材料极好的场发射能力和发射稳定性,提出了石墨烯阴极提高气体开关击穿稳定性的技术路线。采用化学气相沉积法和基底腐蚀转移法两种方法制备金属基底石墨烯薄膜阴极。利用扫描电子显微镜和拉曼光谱表征了石墨烯薄膜阴极质量,确认了石墨烯层数和均匀性。实验研究了两种石墨烯薄膜阴极气体开关,在微秒脉冲均匀电场作用下的击穿特性,获得了击穿电压幅值和分散性的变化规律。结果表明:当气体为0.6 MPa N2、电极间距为5 mm时,铜基底石墨烯薄膜阴极平均击穿电压为85.9 kV,相对标准差为3.2%;不锈钢基底石墨烯薄膜阴极平均击穿电压仅为59.8 kV,相对标准差为2.4%。当两种阴极击穿电压均为80 kV时,相对标准差比较,不锈钢基底仅为铜基底的44%。分析认为,不锈钢基底石墨烯薄膜质量优于铜基底,石墨烯薄膜导致阴极表面微观场增强因子更高,表面分布更均匀,在电场作用下场致发射产生均匀稳定的大量初始电子流,降低了气体开关击穿电压,有效提高了击穿稳定性。     

微波脉冲大气击穿临界场强估计

针对高功率微波在大气传输中可能出现的击穿现象,研究了脉冲序列中首次击穿时的延迟脉冲数,发现其与种子电子、脉冲击穿概率以及微波场强密切相关。研究发现,微波场强可通过作用于种子电子间接影响脉冲击穿概率和延迟脉冲数,由此提出利用延迟脉冲数估计微波击穿临界场强的方法,并定义在脉冲击穿概率大于一定值时的微波临界场强作为击穿阈值。推导了脉冲击穿概率的估计公式,并对估计量的性能进行了分析,随后利用S波段微波大气击穿模拟装置开展了实验验证。实验结果表明,在一定范围内,重复频率微波脉冲击穿延迟脉冲数仅与种子电子产生率和脉宽成反比,能用于估计脉冲击穿概率,进而给出击穿临界场强。     

相对论全腔轴向提取磁控管阳极释气数值模拟研究

相对论电子轰击阳极产生二次电子和释气以及释气电离产生的击穿现象是限制全腔轴向提取透明阴极磁控管（TCMAC）工作性能的一个重要因素。本研究对TCMAC中轰击产生的阳极二次电子以及释气电离现象进行了物理建模以及三维数值模拟研究,考察了其对TCMAC运行性能的影响。初步计算结果表明,二次电子发射与阳极释气对TCMAC工作都有一定影响,释气后电离产生的正离子数大于系统中电子数时,会导致TCMAC击穿。     

Zn扩散对InGaAs/InP单光子雪崩光电二极管雪崩击穿概率的影响

对InGaAs/InP单光子雪崩光电二极管进行结构设计与数值仿真，得到相应的电学与光学参数。针对雪崩击穿概率对器件光子探测效率的影响，研究了两次Zn扩散深度差、Zn扩散横向扩散因子、Zn掺杂浓度以及温度参数与器件雪崩击穿概率的关系。研究发现，当深扩散深度为2.3μm固定值时，浅扩散深度存在对应最佳目标值。浅扩散深度越深，相同过偏压条件下倍增区中心雪崩击穿概率越大，电场强度也会随之增加。当两次Zn扩散深度差小于0.6μm时，会发生倍增区外的非理想击穿，导致器件的暗计数增大。Zn扩散横向扩散因子越大，倍增区中心部分雪崩击穿概率越大，而倍增区边缘雪崩击穿概率会越小。在扩散深度不变的情况下，浅扩散Zn掺杂浓度对雪崩击穿概率无明显影响，但深扩散Zn掺杂浓度越高，相同过偏压条件下雪崩击穿概率越小。本文研究可为设计和研制高探测效率、低暗计数InGaAs/InP单光子雪崩光电二极管提供参考。     

R相C60聚合物的磁性研究

在高温高压条件下利用高压合成装置合成了二维R相C60聚合物,并利用X射线衍射(XRD)和超量子干涉(SQUID)对合成的样品进行了研究.X射线衍射(XRD)数据表明,在6 Gpa压力和7000C-7250C的温度条件下合成的聚合物为纯度较高的二维R相C60聚合物,当温度升高至8000C时,富勒烯的笼状结构塌陷,样品全部变为无定形碳结构.超量子干涉(SQUID))数据表明,在富勒烯笼状结构出现破缺或共价键结构出现断裂的边界条件下制备的二维R相C60聚合物具有铁磁性,样品的磁性来源于破缺的C60分子笼和断裂的共价键.     

不同初始温度时Na8+Na8团簇碰撞动力学研究

采用距离相关紧束缚的分子动力学模型,在不同初始温度T0=0.02 K、50 K、100 K、200 K、300 K、400 K时,对Na8+Na8在质心系轰击能量为0.012 5 e V/n的中心碰撞时的反应动力学进行了研究。发现团簇碰撞动力学与初始温度密切相关 。在T0＜100 K时,初始温度不影响反应动力学,而在T0=400 K时将对反应动 力学有强烈影响。     

不同初始温度时Na_8 Na_8团簇碰撞动力学研究

采用距离相关紧束缚的分子动力学模型 ,在不同初始温度T0 =0 .0 2K、50K、10 0K、2 0 0K、30 0K、4 0 0K时 ,对Na8 Na8在质心系轰击能量为 0 .0 12 5eV/n的中心碰撞时的反应动力学进行了研究。发现团簇碰撞动力学与初始温度密切相关。在T0 <10 0K时 ,初始温度不影响反应动力学 ,而在T0 =4 0 0K时将对反应动力学有强烈影响。     

SiO2/Si衬底上石墨烯的制备与结构表征

在分子束外延(MBE)设备中,利用直接沉积C原子的方法在覆盖有SiO₂的Si衬底(SiO₂/Si)上生长石墨烯,并通过Raman光谱和近边X射线吸收精细结构谱等实验技术对不同衬底温度(500℃,600℃,700℃,900℃,1100℃,1200℃)生长的薄膜进行结构表征.实验结果表明,在衬底温度较低时生长的薄膜是无定形碳,在衬底温度高于700℃时薄膜具有石墨烯的特征,而且石墨烯的结晶质量随着衬底温度的升高而改善,但过高的衬底温度会使石墨烯质量降低.衬底温度为1100℃时结晶质量最好.衬底温度较低时C原子活性较低,难以形成有序的C-sp²六方环.而衬底温度过高时(1200℃),衬底表面部分SiO₂分解,C原子与表面的Si原子或者O原子结合而阻止石墨烯的形成,并产生表面缺陷导致石墨烯结晶变差.     

R相C_(60)聚合物的磁性研究

在高温高压条件下利用高压合成装置合成了二维R相C60聚合物,并利用X射线衍射(XRD)和超量子干涉(SQUID)对合成的样品进行了研究.X射线衍射(XRD)数据表明,在6 Gpa压力和700℃-725℃的温度条件下合成的聚合物为纯度较高的二维R相C60聚合物,当温度升高至800℃时,富勒烯的笼状结构塌陷,样品全部变为无定形碳结构.超量子干涉(SQUID))数据表明,在富勒烯笼状结构出现破缺或共价键结构出现断裂的边界条件下制备的二维R相C60聚合物具有铁磁性,样品的磁性来源于破缺的C60分子笼和断裂的共价键.     

金刚石晶界辅助石墨烯沉积的成核机理仿真

石墨烯在新基材上的生长一直是被关注的焦点,而在以金刚石多晶体为基底沉积石墨烯的成核机理方面的研究对石墨烯大规模的制备具有重要的现实意义.本文采用反应性分子动力学仿真技术,模拟了镍催化双晶金刚石辅助石墨烯沉积生长的过程,研究了金刚石晶界对石墨烯成核生长过程中动力学行为的影响.研究结果表明晶界碳原子可作为补充碳源扩散至镍自由表面,参与石墨烯的成核生长.论文探究了温度对碳原子扩散行为的影响,发现当沉积温度为1700 K时,利于晶界碳原子在镍晶格中扩散,有效提高石墨烯成核密度;探究了沉积碳源流量对石墨烯表面质量影响,发现1700 K下采用较低的碳沉积速率1 ps–1有利于获得最佳的石墨烯表面质量.本文的研究结果不仅为金刚石晶界辅助石墨烯沉积生长提供了有效的理论模型和机理解析,还揭示了沉积温度和沉积碳源流量对生长石墨烯表面质量的影响规律,为石墨烯/金刚石多晶体异质结构在超精密制造和微电子领域的实际应用提供理论基础.     

Statistical Law of High-Energy Fullerene and Its Derivatives Passing Through Graphene

The behavior of graphene bombarded by fullerene(C60 and C70)and its derivatives through using nonequilibrium molecular dynamics method are studied.The microscopic mechanism of passing through graphene is obviously related to the initial structure of destroying carbon-carbon bonds and the strong interaction between the circular region of graphene and the cluster.The probability of passing through graphene depends on the incident velocity of clusters,the species of clusters,the temperature of heat baths,and the defect of graphene.Our results can provide a perspective for further understanding the mechanism of generating nanopores in graphene.The clusters used here may also bring about some potential utilities in tie functionalization of graphene and the production of nanopores.     

Adsorption and desorption of fullerene on graphene/SiC(0001)

Adsorption and desorption of fullerene on a single layer of graphene grown on SiC(0001) were investigated by photoemission spectroscopy (PES). No significant change in the band structure of graphene was observed after fullerene deposition on the graphene layer under vacuum conditions, and subsequent exposure to the air. After annealing the fullerene layer at 275 °C in a vacuum, complete desorption of fullerene was observed without any resulting damage to the graphene structure. The desorption temperature of fullerene was significantly higher than that of pentacene, indicating that fullerene layers show higher stability than pentacene as protection layers of graphene-based devices.     

Core level photoemission evidence of frustrated surface molecules: a germ of disorder at the (111) surface of C60 before the order-disorder surface phase transition

Using high resolution core level photoemission, we investigated the disordering transition of the fullerene molecules at the (111) surface of C (60) films. The experimental evidence of a two-step mechanism for the rotational disordering of surface fullerene molecules is provided. The data are consistent with a recent model in which the rotational degrees of freedom of one molecule, out of the four inequivalent C (60) molecules of the low temperature (2x2) surface unit cell, melt about 100 K before the bulk phase transition.     

Controllable synthesis of fullerene nano/microcrystals and their structural transformation induced by high pressure

Fullerene molecules are interesting materials because of their unique structures and properties in mechanical, electrical, magnetic, and optical aspects. Current research is focusing on the construction of well-defined fullerene nano/microcrystals that possess desirable structures and morphologies. Further tuning the intermolecular interaction of the fullerene nano/microcrystals by use of pressure is an efficient way to modify their structures and properties, such as creation of nanoscale polymer structures and new hybrid materials, which expands the potential of such nanoscale materials for di- rect device components. In this paper, we review our recent progress in the construction of fullerene nanostructures and their structural transformation induced by high pressure. Fullerene nano/microcrystals with controllable size, morphology and structure have been synthesized through the self-assembly of fullerene molecules by a solvent-assisted method. By virtue of high pressure, the structures, components, and intermolecular interactions of the assemblied fullerene nano/microcrystals can be finely tuned, thereby modifying the optical and electronic properties of the nanostructures. Several examples on high pressure induced novel structural phase transition in typical fullerene nanocrystals with C60 or C70 cage serving as build- ing blocks are presented, including high pressure induced amorphization of the nanocrystals and their bulk moduli, high pressure and high temperature （HPHT） induced polymerization in C60 nanocrystals, pressure tuned reversible polymeriza- tion in ferrocene-doped C60/C70 single crystal, as well as unique long-range ordered crystal with amorphous nanoclusters serving as building blocks in solvated C60 crystals, which brings new physical insight into the understanding of order and disorder concept and new approaches to the design of superhard carbon materials. The nanosize and morphology effects on the transformations of fullerene nanocrystals have also been discussed. These results provide the foundation for the fabrication of pre-designed and controllable geometries, which is critical in fullerenes and relevant materials for designing nanometer-scale electronic, optical, and other devices.     

Room temperature electrical detection of spin coherence in C60

An experimental demonstration of electrical detection of coherent spin motion of weakly coupled, localized electron spins in thin fullerene C60 films at room temperature is presented. Pulsed electrically detected magnetic resonance experiments on vertical photocurrents through Al/C(60)/ZnO samples showed that an electron spin Rabi oscillation is reflected by transient current changes. The nature of possible microscopic mechanisms responsible for this spin to charge conversion as well as its implications for the readout of endohedral fullerene (N@C(60)) spin qubits are discussed.     

Molecular dynamics study of temperature-dependent ripples in monolayer and bilayer graphene on 6H—SiC surfaces

Using classical molecular dynamics and a simulated annealing technique,we show that microscopic corrugations occur in monolayer and bilayer graphene on 6H-SiC substrates.From an analysis of the atomic configurations,two types of microscopic corrugations are identified,namely periodic ripples at room temperature and random ripples at high temperature.Two different kinds of ripple morphologies,each with a periodic structure,occur in the monolayer graphene due to the existence of a coincidence lattice between graphene and the SiC terminated surface(Si-or C-terminated surface).The effect of temperature on microscopic ripple morphology is shown through analysing the roughness of the graphene.A temperature-dependent multiple bonding conjugation is also shown by the broad distribution of the carbon-carbon bond length and the bond angle in the rippled graphene on the SiC surface.These results provide atomic-level information about the rippled graphene layers on the two polar faces of the 6H-SiC substrate,which is useful not only for a better understanding of the stability and structural properties of graphene,but also for the study of the electronic properties of graphene-based devices.     

Different Charging-Induced Modulations of Highest Occupied Molecular Orbital Energies in Fullerenes in Comparison with Carbon Nanotubes and Graphene Sheets

The highest occupied molecular orbital(HOMO) energies of fullerenes are found by quantitative first-principles calculations to be raised by negative charging, and the rising rate rank of the fullerenes is C_(60) C_(70) C_(80) C_(90)C_(100) C_(180). Then we compare fullerenes with carbon nanotubes(CNTs) and graphene sheets(GSs) and find that the increase of the HOMO energy of a fullerene is much faster than that of CNTs and graphene sheets with the same number of C atoms. The rising rate rank is fullereneCNTGS, which holds no matter what the number of C atoms is or which structure the fullerene isomer is. This work paves a new path for developing all-carbon devices with low-dimensional carbon nanomaterials as different functional elements.     

Microscopic formation mechanism of nanotube peapods

Using molecular dynamics calculations, we investigate the absorption of a C(60) molecule in a (10,10) nanotube either through the open end or a large defect in the tube wall as possible scenarios for the hierarchical self-assembly of (C(60))(n)@(10,10) "nano-peapods." We find the absorption through a defect to be significantly more efficient than the end-on absorption. This process occurs most likely within a narrow launch velocity range for the fullerene that agrees well with the observed optimum temperature window for peapod formation.