Structure and properties of Si nanostructures on highly oriented pyrolitic graphite surface

The morphology, electronic structure, and optical properties of self-assembled silicon nanostructures grown on the surface of highly oriented pyrolitic graphite (HOPG) by molecular beam epitaxy have been studied by ultra-high-vacuum scanning tunneling microscopy and X-ray photoemission spectroscopy in situ, as well as by Raman spectroscopy ex situ. At a coverage of less than one monolayer, formation of monolayer silicon nanoislands with an atomic structure similar to that of graphene has been observed.     

Buffer layer free large area bi-layer graphene on SiC(0 0 0 1)

The influence of hydrogen exposures on monolayer graphene grown on the silicon terminated SiC(0 0 0 1) surface is investigated using photoelectron spectroscopy (PES), low-energy electron microscopy (LEEM) and micro low-energy electron diffraction (μ-LEED). Exposures to ionized hydrogen are shown to have a pronounced effect on the carbon buffer (interface) layer. Exposures to atomic hydrogen are shown to actually convert/transform the monolayer graphene plus carbon buffer layer to bi-layer graphene, i.e. to produce carbon buffer layer free bi-layer graphene on SiC(0 0 0 1). This process is shown to be reversible, so the initial monolayer graphene plus carbon buffer layer situation is recreated after heating to a temperature of about 950 °C. A tentative model of hydrogen intercalation is suggested to explain this single to bi-layer graphene transformation mechanism. Our findings are of relevance and importance for various potential applications based on graphene-SiC structures and hydrogen storage.     

The structure and properties of the Si nanostructures on an HOPG surface

The morphology, electronic structure, and optical properties of self-assembled silicon nanostructures grown on the surface of Highly Oriented Pyrolytic Graphite (HOPG) by molecular beam epitaxy were studied by ultra high vacuum (UHV) scanning tunneling microscopy (STM) and X-ray photoemission spectroscopy (XPS) in situ, and by Raman spectroscopy ex situ. At coverages of less than 1 monolayer (ML), the formation of monolayered silicon nanoislands with an atomic structure similar to that of graphene was observed.     

硅功能化石墨烯热导率的分子动力学模拟

采用Tersoff势函数与Lennard-Jones势函数,结合速度形式的Verlet算法和Fourier定律,对单层和两层硅功能化石墨烯沿长度方向的导热性能进行了正向非平衡态分子动力学模拟.通过模拟发现,硅原子的加入改变了石墨烯声子的模式、平均自由程和移动速度,使得单层硅功能化石墨烯模型的热导率随着硅原子数目的增加而急剧地减小.在300 K至1000 K温度变化范围内,单层硅功能化石墨烯的热导率呈下降趋势,具有明显的温度效应.对双层硅功能化石墨烯而言,少量的硅原子嵌入,起到了提高热导率的作用,但当硅原子数目达到一定数量后,材料的导热性能下降.     

Effects of electron beam irradiation on the friction and work function of the wrinkled graphene

The ability to control the tribological and electrical properties of graphene is critical to the fabrication of micro- and nanoelectromechanical systems (MEMS/NEMS) devices. Due to its high energy, electron beam irradiation has been widely used to adjust the local electrical properties of the graphene, such as inducing local defects or n-type doping. However, whether electron beam irradiation can affect the local tribological properties of wrinkled graphene has not been investigated yet. In this research, we demonstrated that the lateral force signal and the work function of the wrinkled monolayer graphene were affected by the electron beam irradiation.By using Kelvin-probe force microscopy (KPFM) and Raman spectroscopy, we measured the local electrical properties of the wrinkled monolayer graphene and confirmed that the electron-beam exposed area was changed as n-doped graphene. We compared the lateral force signal with surface potential data and concluded that the n-type doping induced by electron beam affected the tribological characteristics. Characterization of the electron-beam exposed wrinkled graphene provides a physical insight that the electrical and tribological characteristics of wrinkled graphene are correlated.     

Si面4H-SiC衬底上外延石墨烯近平衡态制备

SiC热解法是制备大面积、高质量石墨烯的理想选择之一.外延石墨烯的晶体质量仍是制约其应用的关键因素之一.本文通过SiC热解法在4H-SiC(0001)衬底上制备单层外延石墨烯.通过引入氩气惰性气氛和硅蒸气,使SiC衬底表面的Si原子升华与返回概率接近平衡,外延石墨烯生长速率大大减慢,单层石墨烯的生长时间从15 min延长至75 min.测试分析表明,生长速率减慢,外延石墨烯中缺陷减少,晶体质量提高,使得外延石墨烯的电性能都得到改善,单层外延石墨烯的最高载流子迁移率达到1200 cm2/V·s,方阻604?/.以上结果表明,控制生长气氛,减慢生长速率是实现高质量外延石墨烯的可行途径之一.     

Electronic and magnetic properties of quasifreestanding graphene on Ni

For the purpose of recovering the intriguing electronic properties of freestanding graphene at a solid surface, graphene self-organized on a Au monolayer on Ni(111) is prepared and characterized by scanning tunneling microscopy. Angle-resolved photoemission reveals a gapless linear pi-band dispersion near K[over] as a fingerprint of strictly monolayer graphene and a Dirac crossing energy equal to the Fermi energy (EF) within 25 meV meaning charge neutrality. Spin resolution shows a Rashba effect on the pi states with a large (approximately 13 meV) spin-orbit splitting up to EF which is independent of k.     

基于FDFD方法研究含石墨烯薄膜太阳能电池的电磁特性

近年来, 基于非晶硅太阳能电池在提高能量转换效率和降低成本等方面的研究越来越受到学者的关注, 其中, 太阳能电池吸收峰值的位置, 反映了电池对该频点及其附近频谱光波吸收具有较好的效果. 然而, 非晶硅太阳能电池的吸收峰位置主要是由非晶硅和金属电极的参数决定, 很难实现位置的可调以及进一步的吸收效率增加. 所以, 在周期结构太阳能电池的金属光栅结构中引入单层石墨烯薄膜, 借助石墨烯的特殊光电特性, 即介电常数可通过改变化学势μ_c来调谐, 并结合频域有限差分方法的数值模拟, 理论上实现了对太阳能电池能量吸收峰位置的调谐. 针对石墨烯电导率的虚部出现奇异点, 本文提出了采用数值拟合予以解决奇异点的方法, 数值结果表明近似表达式的最大绝对误差为0.8%. 本设计结构的理论结果可为实际有机薄膜太阳能电池在工作频段的调节和优化提供理论基础和技术支撑.     

Formation of graphene on Ru（0001） surface

We report on the formation of a graphene monolayer on a Ru(0001) surface by annealing the Ru(0001) crystal. The samples are characterized by scanning tunnelling microscopy (STM) and Auger electron spectroscopy (AES). STM images show that the Moir\'{e} pattern is caused by the graphene layer mismatched with the underlying Ru(0001) surface and has an $N\times N$ superlattice. It is further found that the graphene monolayer on a Ru(0001) surface is very stable at high temperatures. Our results provide a simple and convenient method to produce a graphene monolayer on the Ru(0001) surface, which is used as a template for fabricating functional nanostructures needed in future nano devices and catalysis.     

Interaction of two symmetric monovacancy defects in graphene

We investigate the interactions between two symmetric monovacancy defects in graphene grown on Ru(0001) after silicon intercalation by combining first-principles calculations with scanning tunneling microscopy(STM). First-principles calculations based on free-standing graphene show that the interaction is weak and no scattering pattern is observed when the two vacancies are located in the same sublattice of graphene, no matter how close they are, except that they are next to each other. For the two vacancies in different sublattices of graphene, the interaction strongly influences the scattering and new patterns' emerge, which are determined by the distance between two vacancies. Further experiments on silicon intercalated graphene epitaxially grown on Ru(0001) shows that the experiment results are consistent with the simulated STM images based on free-standing graphene, suggesting that a single layer of silicon is good enough to decouple the strong interaction between graphene and the Ru(0001) substrate.     

Scanning probe microscopy of graphene

A material with novel fundamental properties that challenge our current understanding is always exciting for research. If the novel properties extend to the realm of device engineering and promise a revolution in applications, then the scope of its research knows no bounds. The story of graphene, the two dimensional form of carbon, has followed this path. Graphene has been the subject of numerous experimental and theoretical investigations since 2004 when an elegant and a simple technique to make monolayer graphene set the stage for extensive research. Many other techniques to make graphene were developed in parallel to this technique. As graphene is replete with unique structural and electronic properties scanning probe microscopy has proved to be an exciting and a rewarding venture. In this review we discuss the findings of scanning probe microscopy and how it has served as an indispensable tool to understand the properties of graphene and further graphene research.     

Synthesis of high-quality monolayer graphene by low-power plasma

The growth of high-quality graphene on copper substrates has been intensively investigated using chemical vapor deposition (CVD). It, however, has been considered that the growth mechanism is different when graphene is synthesized using a plasma CVD. In this study, we demonstrate a dual role of hydrogen for the graphene growth on copper using an inductively coupled plasma (ICP) CVD. Hydrogen activates surface-bound carbon for the growth of high-quality monolayer graphene. In contrast, the role of an etchant is to manipulate the distribution of the graphene grains, which significantly depends on the plasma power. Atomic-resolution transmission electron microscopy study enables the mapping of graphene grains, which uncovers the distribution of grains and the number of graphene layers depending on the plasma power. In addition, the variation of electronic properties of the synthesized graphene relies on the plasma power.     

Temperature dependence of the thickness and morphology of epitaxial graphene grown on SiC （0001） wafers

Epitaxial graphene is synthesized by silicon sublimation from the Si-terminated 6H–SiC substrate. The effects of graphitization temperature on the thickness and surface morphology of epitaxial graphene are investigated. X-ray photoelectron spectroscopy spectra and atomic force microscopy images reveal that the epitaxial graphene thickness increases and the epitaxial graphene roughness decreases with the increase in graphitization temperature. This means that the thickness and roughness of epitaxial graphene films can be modulated by varying the graphitization temperature. In addition, the electrical properties of epitaxial graphene film are also investigated by Hall effect measurement.     

直接带隙半导体In2(PS3)3单层结构与电子特性的第一性原理研究

高载流子迁移率和可调直接带隙是低维电子器件应用的两个关键特性.但目前发现的此类二维材料稀少.鉴于此在第一性原理计算的基础上,本文系统研究了In₂(PS₃)₃单层的稳定性、电子结构性质和机械性质.研究结果表明,In₂(PS₃)₃单层是具有直接带隙的半导体材料(1.58 eV).在-3%到3%应变下,In₂(PS₃)₃单层的带隙是可以调节的(1.3～1.8 eV).声子谱、分子动力学和弹性常数的计算结果表明,In₂(PS₃)₃单层是热力学、动力学和机械稳定的.此外,In₂(PS₃)₃单层的剥离能(0.21 J m^-2)小于石墨烯的剥离能(0.36 J m^-2),有望像石墨烯一样机械剥离得到.这些优异的的性能使得In     

Substrate orientation: A way towards higher quality monolayer graphene growth on 6H-SiC(0 0 0 1)

The influence of substrate orientation on the morphology of graphene growth on 6H-SiC(0 0 0 1) was investigated using low-energy electron and scanning tunneling microscopy (LEEM and STM). Large area monolayer graphene was successfully furnace-grown on these substrates. Larger terrace widths and smaller step heights were obtained on substrates with a smaller mis-orientation from on-axis (0.03°) than on those with a larger (0.25°). Two different types of a carbon atom networks, honeycomb and three-for-six arrangement, were atomically resolved in the graphene monolayer. These findings are of relevance for various potential applications based on graphene-SiC structures.     

Characteristics of secondary electron emission from few layer graphene on silicon (111) surface

As a typical two-dimensional (2D) coating material, graphene has been utilized to effectively reduce secondary electron emission from the surface. Nevertheless, the microscopic mechanism and the dominant factor of secondary electron emission suppression remain controversial. Since traditional models rely on the data of experimental bulk properties which are scarcely appropriate to the 2D coating situation, this paper presents the first-principles-based numerical calculations of the electron interaction and emission process for monolayer and multilayer graphene on silicon (111) substrate. By using the anisotropic energy loss for the coating graphene, the electron transport process can be described more realistically. The real physical electron interactions, including the elastic scattering of electron—nucleus, inelastic scattering of the electron—extranuclear electron, and electron—phonon effect, are considered and calculated by using the Monte Carlo method. The energy level transition theory-based first-principles method and the full Penn algorithm are used to calculate the energy loss function during the inelastic scattering. Variations of the energy loss function and interface electron density differences for 1 to 4 layer graphene coating GoSi are calculated, and their inner electron distributions and secondary electron emissions are analyzed. Simulation results demonstrate that the dominant factor of the inhibiting of secondary electron yield (SEY) of GoSi is to induce the deeper electrons in the internal scattering process. In contrast, a low surface potential barrier due to the positive deviation of electron density difference at monolayer GoSi interface in turn weakens the suppression of secondary electron emission of the graphene layer. Only when the graphene layer number is 3, does the contribution of surface work function to the secondary electron emission suppression appear to be slightly positive.     

Structural analysis of PTCDA monolayers on epitaxial graphene with ultra-high vacuum scanning tunneling microscopy and high-resolution X-ray reflectivity

Epitaxial graphene, grown by thermal decomposition of the SiC (0001) surface, is a promising material for future applications due to its unique and superlative electronic properties. However, the innate chemical passivity of graphene presents challenges for integration with other materials for device applications. Here, we present structural characterization of epitaxial graphene functionalized by the organic semiconductor perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA). A combination of ultra-high vacuum scanning tunneling microscopy (STM) and high-resolution X-ray reflectivity (XRR) is used to extract lateral and vertical structures of 0, 1, and 2 monolayer (ML) PTCDA on epitaxial graphene. Both Fienup-based phase-retrieval algorithms and model-based least-squares analyses of the XRR data are used to extract an electron density profile that is interpreted in terms of a stacking sequence of molecular layers with specific interlayer spacings. Features in the STM and XRR analysis indicate long-range molecular ordering and weak π–π* interactions binding PTCDA molecules to the graphene surface. The high degree of both lateral and vertical ordering of the self-assembled film demonstrates PTCDA functionalization as a viable route for templating graphene for the growth and deposition of additional materials required for next-generation electronics and sensors.     

A review on silicene — New candidate for electronics

Silicene-the silicon-based counterpart of graphene-has a two dimensional structure that is responsible for the variety of potentially useful chemical and physical properties. The existence of silicene has been achieved recently owing to experiments involving epitaxial growth of silicon as stripes on Ag(001), ribbons on Ag(110), and sheets on Ag(111). The nano-ribbons observed on Ag(110) were found-by both high definition experimental scanning tunneling microscopy images and density functional theory calculations-to consist of an arched honeycomb structure. Angle resolved photo-emission experiments on these silicene nano-ribbons on Ag(110), along the direction of the ribbons, showed a band structure which is analogous to the Dirac cones of graphene. Unlike silicon surfaces, which are highly reactive to oxygen, the silicene nano-ribbons were found to be resistant to oxygen reactivity.On the theoretical side, recent extensive efforts have been deployed to understand the properties of standalone silicene sheets and nano-ribbons using both tight-binding and density functional theory calculations. Unlike graphene it is demonstrated that silicene sheets are stable only if a small buckling (0.44 Å) is present. The electronic properties of silicene nano-ribbons and silicene sheets were found to resemble those of graphene.Although this is a fairly new avenue, the already obtained outcome from these important first steps in understanding silicene showed promising features that could give a new future to silicon in the electronics industry, thus opening a promising route toward wide-range applications. In this review, we plan to introduce silicene by presenting the available experimental and theoretical studies performed to date, and suggest future directions to be explored to make the synthesis of silicene a viable one.     

Theoretical study of the magnetic properties of ordered vacancies in 2D hexagonal structures: Graphene, 2D-SiC,and h-BN

The magnetic properties of vacancies in 2D hexagonal structures—graphene and 2D-SiC and h-BN monolayers—have been studied. It has been found that a local magnetic moment exists in all listed systems in the presence of vacancies. However, in 2D hexagonal silicon carbide, the local magnetic moment appears only in the presence of silicon vacancy. In addition, the effect of the distance between vacancies in a monolayer on transitions between the ferromagnetic and antiferromagnetic states has been revealed.     

石墨烯纳米结构的原子级精准构造

相比单层石墨烯,特定构型的石墨烯纳米结构具有更加新奇的物理性质,被认为是构筑基于石墨烯功能纳米器件的基本单元。由于纳米结构的性质对其局域原子构型非常敏感,可控制备高质量的、原子级精确的石墨烯纳米结构并研究其奇特的电子学和自旋电子学性质是实现其器件应用的必要前提。目前,实验构筑锯齿形石墨烯纳米带及其面内异质结、纳米孔洞以及量子点已取得很多重要进展,但是具有复杂结构的功能化石墨烯纳米结构的构筑与物性研究仍存在挑战。文章介绍作者在原子级精确构造石墨烯纳米结构方面取得的系列科研进展。运用可控制备技术与高精度的极低温强磁场扫描隧道显微镜,探索在不同衬底上制备高质量的、具有特定构型的石墨烯纳米结构,并尝试对制备的石墨烯纳米结构进行原子级精准的操纵,实现构造“用户定制”的功能化石墨烯纳米结构。此系列工作发展了石墨烯纳米结构精确可控制备方法,为研究复杂纳米结构与物性提供了新的思路。