氮离子轰击钼(001)和钼(110)表面形成的有序结构

用能量为1千电子伏,束流为6微安的氮离子轰击含有痕量碳和氧的钼(001)和钼(110)表面10至15分钟,在俄歇能谱中出现了很强的氮的俄歇峰。从室温直到350℃退火,低能电子衍射观察表明,表面是无序层。样品加热到530℃和650℃之间,在钼(001)表面上得到c(2×2)-氮,p(2×2)-氮和(4(2^1/2)×2^1/2)R45°-氮、氧三种结构的低能电子衍射图;在密堆的钼(110)面得到单一结构的c(7×3)-氮的低能电子衍射图。低能电子衍射图与热脱附密切相关 关键词：     

O在预覆盖K的Ag(110)表面的共吸附及其性质

本文用X射线光电子能谱(XPS),紫外光电子能谱(UPS),电子能量损失谱(EELS)和低能电子衍射(LEED)研究了O与预覆盖K的Ag(110)表面相互作用及其性质。在低覆盖度K下,发现有两种O的吸附态,经鉴别为溶解到表面下的O^2-和表面上吸附的O^x-增加K的覆盖度,出现分子状态的吸附物O₂^δ-,它与表面下存在的K相联系。XPS和UPS均清楚地显示出对应于三种不同吸附态的光电子发射峰。Ag(110)表面预覆盖K后的粘滞系数大大增加。K和O的共吸附引起它们彼此向Ag(110)表面下的溶解。LEED实验结果表明,清洁Ag(110)表面覆盖单层K原子后衍射图形从(1×1)变到(1×2),再吸附O后表面吸附层结构变为(2×1)。另外,结合UPS和EELS测量初步考察了O/K/Ag(110)共吸附系统的电子结构。本文还提出了一个共吸附模型来解释这些现象。 关键词：     

通过不同烷基链取代调控喹吖啶酮分子在Ag(110)表面上的自组织结构

采用低能电子衍射、扫描隧道显微镜、第一性原理密度泛函理论计算以及分子力学计算，分别对不同烷基链取代的喹吖啶酮（QA）分子在Ag（110）基底上的吸附和生长进行了研究．QA和Ag基底的相互作用主要来自分子中0原子和Ag基底的共价键，它决定了分子的取向和最优吸附位置；而烷基链决定了分子吸附层的取向，QA分子间的排列可以通过烷基链的长度来调节．由此借助调节烷基链的长度，能够可控地制备具有不同物理性质的单层分子薄膜．     

关于RHEED振荡技术优化GaAs(110)量子阱生长的研究

在GaAs(110)衬底上生长的半导体材料有诸多优良性能，使得在非极性GaAs(110)衬底上获得高质量各类异质结材料，成为近年来分子束外延生长关注的课题.考虑GaAs(110)表面是Ga和As共面，最佳生长温度窗口很小；反射式高能电子衍射的(1×1)再构图案对生长温度和V/Ⅲ束流比不敏感，难于通过观察再构图案的变化，准确地找到最佳生长条件.作者在制备GaAs(110)量子阱过程中，观察到反射式高能电子衍射强度振荡呈现出的单双周期变化.这意味着不同工艺条件下，在 GaAs(110)衬底上量子阱有单层和双层两种生长模式.透射电子显微镜和室温光致荧光光谱测量结果表明：在双层生长模式下量子阱样品光学性能较差，而在单层生长模式下量子阱光学性能较好，但是界面会变粗糙.利用这一特点，我们采用反射式高能电子衍射强度振荡技术，找到了一种在GaAs(110)衬底上生长高质量量子阱的可行方法. 关键词： 反射高能电子衍射 量子阱 分子束外延     

有机半导体perylene和tetracene在Ag(110)表面上有序薄膜的结构与电子态研究

利用紫外光电子能谱(UPS)和低能电子衍射(LEED)对银(110)表面上perylene与tetracene的生长进行了研究.LEED的结果表明：一个分子单层的perylene在银(110)表面上会形成C(6×2)的有序结构；一个分子单层的tetracene，观察到的则是C(4×2)的有序结构.根据UPS的测量，与perylene分子轨道有关的4个特征峰分别位于Frimi能级以下35，48，64和85eV处，与tetracene分子轨道有关的4个特征峰的结合能分别为3．4，49，59和94eV.角分辨紫外光电子能谱(ARUPS)的测量表明，表面附近的perylene和tetracene分子平面平行于银衬底表面，tetracene分子的长轴可以确定沿［110］晶向. 关键词： 有机半导体材料 紫外光电子能谱 结构和电子结构     

苯并咪唑苝与金属Ag的界面电子结构研究

利用同步辐射光电子能谱实验技术考察了苯并咪唑苝(BZP)和Ag的界面形成过程与电子结构.单层覆盖度以下时，BZP分子与Ag有弱相互作用，在有机分子禁带中出现明显界面反应态，结合能位于0.9eV.单层铺满后，BZP分子呈现三维岛式生长，且与Ag的相互作用逐渐减弱，同时最高占据分子轨道由于终态效应逐渐向高结合能方向位移至体相结合能位置(2.3eV). Ag衬底上BZP分子的生长导致样品表面功函数减小，表明形成了表面偶极势(Δ=0.3eV)，且电子从有机分子向金属Ag偏移.最后，考察了BZP/Ag 关键词： 有机-金属界面 电子结构 光电子能谱 同步辐射     

扫描隧道显微镜功能化针尖对分子能级的选择成像

文章提出了一种通过修饰STM针尖使其功能化，调节扫描隧道显微镜（STM）的扫描偏压范围，实现对分子能级的选择性成像的方法．二萘嵌苯分子在Ag（110）表面上自组织形成的有序单层膜主要是通过分子的π电子态成像，而被二萘嵌苯分子修饰的STM针尖的能级失配于基底上吸附的分子的能级，从而只对分子的部分能级成像．这个结果为有机界面电子输运测量提供了一种更好的能级选择方法．     

Ga在Ni(111)表面上形成的超结构

使用自制的简易蒸发源,将金属Ga蒸镀在Ni(111)表面上。在亚单层时,用低能电子衍射(LEED)和俄歇电子能谱(AES)观测到Ga在Ni(111)面上形成(3^(1/2)×3^(1/2))R30°和(2×2)两种超结构。并建立起近似平衡图,粗略地确定了这两种超结构存在的覆盖度和温度范围。 关键词：     

Ag(111)和Au(111)上铋的初始生长行为

半金属铋(Bi)的表面合金具有的Rashba效应,和其具体结构性质有重要关联.本文结合扫描隧道显微镜(STM)和密度泛函理论(DFT),系统地研究了Bi原子在Ag(111)和Au(111)上的不同初始生长行为.在室温Ag(111)上,连续的Ag₂Bi合金薄膜会优先在Ag台阶边缘形成;在570 K Ag(111)上,随着覆盖度增加到0.33分子层(ML),Bi优先取代配位数低的台阶边原子并从单原子随机分布转变为长程有序的Ag₂Bi合金相;随着覆盖度增加,Ag₂Bi通过退合金过程转变成p×3^1/2结构的Bi膜.Bi在室温和570 K的Au(111)上的生长行为一致:在覆盖度低于0.40 ML时,Bi会优先吸附在配位为5的Au原子上,并以单原子和团簇的形式分别分散在Au(111)的密堆积区域和鱼骨纹重构的拐角处;随着覆盖度增加到0.60 ML,无序的Bi会逐渐转变成长程有序的((37)^1/2×(37)^1/2)相;Bi的吸附会导致Au(111)表面应力逐步释放.Bi在Ag(111)和Au(111)上的不同生长行为表明,Bi原子与衬底之间的相互作用起着关键作用.     

NO在Cu(110)表面吸附的角分辨光电子能谱

本文用角分辨光电子能谱(ARUPS)(He Ⅱ),低能电子衍射(LEED)和俄歇电子能谱AES等方法研究了NO在Cu(110)表面吸附的光电子能谱。测量结果表明:在150K左右,NO在Cu(11O)表面是一个比较复杂的分解吸附过程。随着暴露量的不同,在Cu(110)表面形成的分解吸附分子是不同的。在NO5L暴露量时,主要形成O原子和N₂O分子吸附。吸附的LEED图形仍然是(1×1)。 关键词：     

Photoemission, NEXAFS and STM studies of pentacene thin films on Au(1 0 0)

We have investigated the initial stages of the growth of pentacene thin films on the Au(1 0 0) substrate using synchrotron radiation photoelectron spectroscopy (PES), near edge X-ray absorption fine structure (NEXAFS) and scanning tunnelling microscopy (STM). Results indicate a well-ordered structure with the pentacene molecules adopting a predominantly flat orientation with respect to the substrate for coverages of less than three monolayers. NEXAFS and photoemission data indicates the presence of a second molecular orientation for thicker films, with the introduction of a slight tilting away from planar bonding geometry at higher pentacene coverages. STM images of coverages less than three monolayers indicate a well-ordered pentacene structure allowing for the calculation of pentacene unit cell parameters. The pentacene molecular rows adopt a side-by-side bonding arrangement on the surface. For pentacene deposited at room temperature, step edges were observed to act as nucleation centres for film growth. Annealing of the substrate to 373 K was found to remove excess molecules and improve film quality, but did not otherwise change the bonding geometry of the pentacene with respect to the surface.     

In-situ measurement of molecular orientation of the pentacene ultrathin films grown on SiO2 substrates

Molecular orientations of pentacene ultrathin films grown on SiO₂ substrates were studied without the influence of the atmosphere by vacuum atomic force microscopy (V-AFM) and near edge X-ray absorption fine structure (NEXAFS). The experimental processes from deposition of pentacene to characterization of films were performed under vacuum condition without exposure to the atmosphere. V-AFM and NEXAFS measurements showed that pentacene molecules tend to grow on SiO₂ surface with their molecular long axes perpendicular to the substrate surfaces (standing-mode) irrespective of preparation procedure of SiO₂ substrate.     

对硅片上自组装生长的Pentacene薄膜生长机制及其结晶相态的研究

采用热蒸发的方法在硅片衬底上自组装生长的Pentacene薄膜,薄膜在80℃温度下经2 h恒温真空热处理,通过原子力显微镜(AFM)对Pentacene薄膜表面形貌及其生长机制进行研究.结果得到,在硅片上生长的Pentacene薄膜足以台阶岛状结构生长,其岛状直径约为100 nm.且Pentacene分子以垂直于衬底的方向生长,台阶岛状结构中每个台阶的平均高度约为1.54 nnl·s-1,与Pentacene分子的沿长轴方向的长度相近.从Pentacene薄膜的XRD图谱中可以看出,薄膜在形成的过程中会因条件的不同而形成不同的结晶相,分别为薄膜相和三斜体相,且薄膜的结晶相将随着薄膜厚度的增加向三斜体相转变,其临界厚度为80和150 nm,当薄膜大于150 nm时,薄膜的三斜体相占主导地位,而当Pentacene薄膜的厚度小于80 nm时,Pentacene薄膜呈薄膜相存在.     

Role of surface electronic structure in thin film molecular ordering

We show that the orientation of pentacene molecules is controlled by the electronic structure of the surface on which they are deposited. We suggest that the near-Fermi level density of states above the surface controls the interaction of the substrate with the pentacene pi orbitals. A reduction of this density as compared to noble metals, realized in semimetallic Bi(001) and Si(111)(5 x 2)Au surfaces, results in pentacene standing up. Interestingly, pentacene grown on Bi(001) is highly ordered, yielding the first vertically oriented epitaxial pentacene thin films observed to date.     

An STM investigation of the interaction and ordering of pentacene molecules on the Ag/Si(1 1 1)-(√3×√3)R30° surface

Scanning tunneling microscopy has been used to study the ordering of pentacene (C₂₂H₁₄) molecules on the Ag/Si(1 1 1)-(√3×√3)R30° surface at room temperature. Two solid phases, S1 and S2, are observed at coverages of ∼0.35 monolayer (ML) and ∼1.0 ML respectively. It is shown that the solid phase S1 has a high-order commensurate lattice, Ag/Si(1 1 1)-(25 × 25)-pentacene, containing 75 molecules. The structure of this phase is determined from STM measurements at very low coverages where it is possible to image both the pentacene molecules and the structure of the Ag/Si(1 1 1) substrate. Two adsorption sites are identified, a three-fold hollow site at the centre of a Ag-trimer (CA-site) and a six-fold hollow site at the centre of the hexagonal arrangement of silver atoms (CB-site). A higher pentacene coverage of ∼1 ML lead to a molecular reorganization and forms a new commensurate structure Ag/Si(1 1 1)-(2 × 3)-pentacene, containing two molecules per unit cell. Because low energy electron diffraction patterns were not obtainable for this system, the structure of this second phase is determined by using the bias voltage as a tunable parameter to “focus” on either the molecular film or on the substrate. In this phase adsorption takes place exclusively on the Ag-trimer (CA) site and the CB-site is lost because of strong lateral molecule-molecule interactions. The role of competition between intermolecular and molecule-substrate interactions and the nature of the adsorption sites in determining the structure of the pentacene layers is discussed.     

Surface and interface properties of thin pentacene and parylene layers

To improve Organic Thin Film Transistor (OTFT) properties we study OTFT semiconductor/dielectric interfacial properties via examination of the gate dielectric using thin Parylene C layer. Structural and morphology properties of pentacene layers deposited on parylene layer and SiO₂/Si substrate structure were compared. The surface morphology was investigated using atomic force microscopy (AFM) and scanning electron microscopy (SEM). AFM topography of pentacene layer in non-contact mode confirmed the preferable pentacene grain formation on parylene surface in dependence on layer thickness. The distribution of chemical species on the surfaces and composition depth profiles were measured by secondary ion mass spectroscopy (SIMS) and surface imaging. The depth profiles of the analyzed structures show a homogenous pentacene layer, characterized with C or C₂ ions. Relatively sharp interface between pentacene and parylene layers was estimated by characteristic increased intensity of CCl ions peak. For revealing the pentacene phases in the structures the Micro-Raman spectroscopy was utilized. Conformal coatings of parylene and pentacene layers without pinholes resulted from the deposition process as was confirmed by SIMS surface imaging. For the pentacene layers thicker than 20 nm, both thin and bulk pentacene phases were detected by Micro-Raman spectroscopy, while for the pentacene layer thickness of 5 and 10 nm the preferable thin phase was detected. The complete characterisation of pentacene layers deposited on SiO₂ and parylene surface revealed that the formation of large grains suggests 3D pentacene growth at parylene layer with small voids between grains and more than one monolayer step growth. The results will be utilized for optimization of the deposition process.      

并五苯同质异相体中分子间势能与能带计算

采用Born-Mayer-Haggins对势模型，分析了并五苯分子间势能及其相互作用. 用紧束缚模型计算了两种并五苯同质异相体结构的能带宽度. 计算带宽随温度升高减小8%—14%. 关键词： 并五苯 同质异相体 分子间势能 能带计算     

Enhanced surface evolution induced by the molecular desorption in dodecanethiol self-assembled monolayer on Au(1 1 1)

The evolution of the surface structure in dodecanethiol self-assembled monolayer on Au(1 1 1) substrate has been studied with ultra high vacuum scanning tunneling microscopy at several temperatures. The structure of substrate Au(1 1 1) surface changed suddenly at a temperature of 110 °C. The enhanced mobility of the substrate gold atoms at this temperature is attributed to the desorption of the dodecanethiol molecules.     

Effect of molecular structure on bias stress effect in organic thin-film transistors

Two thiophene-phenylene semiconductors, bis(2-phenylethynyl) end-substituted oligothiophenes (diPhAc-nTs, n = 2, 3), were studied as active layers in organic thin film transistors (OTFTs). Structural and electrical properties of such high vacuum evaporated thin films were compared to pentacene. All three oligomers behave as p-type semiconducting layers into OTFTs. In the same preparation and measurement conditions, diPhAc-3T possesses two of incontrovertible attributes of OTFTs for low cost applications, a high air-stable mobility at low substrate temperature (T_sub), i.e. typically 25 °C together with a reduced bias stress effect compared to the well-known pentacene semiconductor. This study brings to light on the role of the molecular structure involved in the active layer in thin-film devices and describes effects as thin film morphology as important parameters when optimizing the structure of OTFTs.     

Effect of surface property of polyimide substrate on the formation of pentacene thin-film

We investigated the effect of surface property of polyimide substrate on the formation of pentacene thin-film by using atomic force microscopy (AFM) and X-ray reflectivity (XRR) and diffuse scattering (XDS). Two types of polymer films were prepared: (1) polyimide (PAA-PI) from poly(amic acid) (PAA) (2) polyimide hybrid (PAA-PI-H) prepared by hybridizing the PAA and soluble polyimide (PI) with a octadecyl side chain. The hybridization ratio of PI to PAA was 2/98 in wt%. The water contact angle for PAA-PI-H and PAA-PI were around 80° and 64°, respectively. Morphology of pentacene with a ropelike structure and (1 1 0) peak around 1.4 Å in q_z was found when it was deposited on PAA-PI thin-film. Different pentacene morphology was observed when it was deposited on PAA-PI-H thin-film. The different morphology might be due to a 5-6 nm thick additional layer (∼0.95 ρ_film) at the interface between pentacene and PAA-PI-H thin-film caused by a long alkyl side chain introduced to the polymer main chain.