Size effect of quantum conductance in carbon nanotube Y-Junctions

This paper studies the quantum conductance properties of three-terminated carbon nanotube Y-junctions, which are built by connecting three (5,5) single-walled carbon nanotubes. The results show that the quantum conductance at the Fermi energy oscillates periodically with the junction's size, and the number of oscillating periodic layers is 3 which is the same as that in the two terminated $(10,0)/m(5,5)/(10,0)$ junctions. Moreover, this Y-junction with different size exhibits obvious different distribution of electron current in the two drain branches, called shunt valve effect of electronic current. Thus the degree of this effect can be controlled and modulated directly by constructing the three branches' sizes or the distribution of defect. The results show in detail that the difference between the two drain currents can be up to two times for some constructions with special sizes. In addition, the uniform distribution of defects in the Y-junction leads to lower quantum conductance than that of other defect configurations.     

Probing the paramagnetic interactions between the unpaired electronic spins of carbon atoms and the nuclear spins of hydrogen molecules with Raman spectroscopy

Carbon materials typically have a high density of unpaired electronic spins but the exact nature of the defect sites that give rise to their magnetic properties are not yet well understood. In this work, the paramagnetic interactions between the unpaired electronic spins of carbon atoms and the nuclear spins of hydrogen molecules were probed with Raman spectroscopy by monitoring the relative population of H₂ rotational states. For H₂, the symmetries of nuclear spin and rotational wave functions are correlated. Because of the weak interactions between H₂ nuclear spins, the transitions between odd and even rotational states are normally hindered. The magnetic field generated by unpaired electronic spins relaxes the selection rules and promotes transitions between H₂ rotational levels of different symmetry. This affects the rotational levels' relaxation kinetics toward equilibrium and makes H₂ molecules useful to study unpaired electrons in paramagnetic materials. It is suggested that simultaneous electron paramagnetic resonance and Raman measurements on carbon materials interacting with hydrogen molecules could result in a better understanding of the nature of paramagnetic defects in carbon materials, which could have a substantial impact on Li‐ion batteries or for understanding the graphene electronic properties. Copyright © 2011 John Wiley & Sons, Ltd.     

无序碳单层的电子结构及氢原子吸附的第一性原理

本研究运用第一性原理计算方法,系统地研究了无序碳单层材料不同位点的电子结构及其析氢性能.计算结果显示无序结构中的C-C键相比于石墨烯中的C-C键在26.7%的范围内有不同程度的拉伸或压缩,使得C原子电荷在-0.17～+0.16个电子范围内变化,导致部分C原子电子局域化.电子的局域化增强了C原子的化学活性,从而表现出了较强的吸附性能.我们发现H原子与C原子的键合及析氢性能与C原子间的键角相关.对于三配位的碳原子,其中三个价电子通过sp~2杂化轨道与最邻近的碳原子结合形成较强的共价键,而余下的一个p_z轨道电子可以与H原子在垂直于原子层的方向形成较弱的化学键.无序结构可以打破三个sp~2杂化轨道的对称性,进而影响p_z轨道与氢的成键.本研究在一定程度上揭示了单层无序碳材料结构-性能的构效关系,为实验上设计特定性能的无序碳功能材料提供理论指导.     

Improvement of field emission of graphite flakes using hydrogen thermal processing

In order to improve the field electron emission properties of the graphite, the carbon nanoparticles (CNPs) are synthesized on the micrographite flakes by hydrogen thermal processing. We spin the graphite solution on the silicon wafer and desiccate it, then produce the CNPs on the graphite flakes using hydrogen thermal processing in the furnace. The processing parameters such as the processing temperature, hydrogen flow rate and processing time, were varied to find the optimal conditions for the improvement of the field emission properties of the graphite flakes. The experimental results show that the field emission properties of the graphite flakes have glaring improvement after heat treatment owing to the increase of the defect density and the CNPs on above. The turn-on field was decreased from 7.7 of the untreated sample to 4.3 V/μm of the treated sample at the optimal processing conditions.     

Hydrogen incorporation in diamond: the nitrogen-vacancy-hydrogen complex

We report the identification of the nitrogen-vacancy-hydrogen complex in a freestanding nitrogen-doped isotopically engineered single crystal diamond synthesized by chemical vapor deposition. The hydrogen atom is located in the vacancy of a nearest-neighbor nitrogen-vacancy defect and appears to be bonded to the nitrogen atom maintaining the trigonal symmetry of the center. The defect is observed by electron paramagnetic resonance in the negative charge state in samples containing a suitable electron donor (e.g., substitutional nitrogen N(0)(S)).     

单空位缺陷对载能氢原子与石墨层间碰撞的能量交换的影响的分子动力学研究

本文采用分子动力学方法研究空位缺陷对石墨层中碳氢粒子碰撞的影响.将氢原子以不同能量分别向单空位缺陷边缘的两个碳原子轰击,分析了入射氢原子的能量损失、发生吸附反应的能量范围和靶原子的能量传递过程.研究发现,单空位缺陷边缘的碳氢粒子更易发生吸附反应;在碳氢粒子正碰过程中,氢原子随入射能量变化出现了双反射区域;碳氢粒子在空位缺陷边缘吸附后,形成了高结合能的sp²结构,并出现悬挂键,其临近的碳碳键能未降低;单空位缺陷边缘的碳原子吸附氢原子能量的能力强而传递能量的能力弱.这些结果对理解聚变反应 关键词： 面向等离子体材料 分子动力学方法 单空位缺陷     

微通道板表面发雾的AES分析

应用俄歇电子能谱对微通道板表面发雾区域进行分析。分析结果表明,发雾区碳含量比正常区高三倍。由此可推测出,发雾是由碳污染引起的,而这种碳污染很可能是残留于微通道板上的某些有机物在烧氢时碳化所致。     

Characterization of {111} planar defects induced in silicon by hydrogen plasma treatments

Microstructural characterization by transmission electron microscopy of the {111} planar defects induced in Si by treatment in hydrogen plasma is discussed. The {111} defects are analyzed by conventional (TEM) and high-resolution transmission electron microscopy (HRTEM). Quantitative image processing by the geometrical phase method is applied to the experimental high-resolution image of an edge-on oriented {111} defect to measure the local displacements and strain field around it. Using these data, a structural model of the defect is derived. The validity of the structural model is checked by high-resolution image simulation and comparison with experimental images.     

Surface properties of diamond-like carbon films prepared by CVD and PVD methods

Diamond-like carbon (DLC) films have been deposited using three different techniques: (a) electron cyclotron resonance---plasma source ion implantation, (b) low-pressure dielectric barrier discharge, (c) filtered---pulsed cathodic arc discharge. The surface and mechanical properties of these films are compared using atomic force microscope-based tests. The experimental results show that hydrogenated DLC films are covered with soft surface layers enriched with hydrogen and sp$^{3}$ hybridized carbon while the soft surface layers of tetrahedral amorphous carbon (ta-C) films have graphite-like structure. The formation of soft surface layers can be associated with the surface diffusion and growth induced by the low-energy deposition process. For typical CVD methods, the atomic hydrogen in the plasmas can contribute to the formation of hydrogen and sp$^{3}$ hybridized carbon enriched surface layers. The high-energy ion implantation causes the rearrangement of atoms beneath the surface layer and leads to an increase in film density. The ta-C films can be deposited using the medium energy carbon ions in the highly-ionized plasma.     

Hydrogen-related defect creation at the Si(100)–SiO2interface of metal-oxide-semiconductor field effect transistors during hot electron stress

We explore the hydrogen-related microstructures involved in hot electron defect creation at the Si(100)–SiO₂interface of metal-oxide-semiconductor field effect transistors. Based on the energetics of hydrogen desorption from the interface between silicon and silicon-dioxide, we argue that the hard threshold for hydrogen-related degradation may be considerably lower than the previously assumed value of 3.6 eV. Also, hydrogen atoms released from Si–H bonds at the interface by hot electron stress are trapped in bulk silicon near the interface.     

C<Subscript>60</Subscript> fullerene decoration of carbon nanotubes

A new fully carbon nanocomposite material is synthesized by the immersion of carbon nanotubes in a fullerene solution in carbon disulfide. The presence of a dense layer of fullerene molecules on the outer nanotube surface is demonstrated by TEM and XPS. Fullerenes are redistributed on the nanotube surface during a long-term action of an electron beam, which points to the existence of a molecular bond between a nanotube and fullerenes. Theoretical calculations show that the formation of a fullerene shell begins with the attachment of one C₆₀ molecule to a defect on the nanotube surface.     

Hydrogen Passivation Effect on Enhanced Luminescence from Nanocrystalline Si/SiO2 Multilayers

Nanocrystalline Si/SiO2 multilayers are prepared by thermally annealing amorphous Si/SiO2 stacked structures. The photoluminescence intensity is obviously enhanced after hydrogen passivation at various temperatures. It is suggested that the hydrogen trapping and detrapping processes at different temperatures strongly influence the passivation effect. Direct experimental evidence is given by electron spin resonance spectra that hydrogen effectively reduces the nonradiative defect states existing in the Si nanocrystas/SiO2 system which enhances the radiative recombination probability. The luminescence characteristic shows its stability after hydrogen passivation even after aging eight months.     

Hydrogen for novel materials and devices

We start by recalling some of the properties of hydrogen and present a summary of the phenomena caused by the reversible hydrogen sorption by metals and various forms of condensed carbon, at the surface and into the bulk, using molecular hydrogen gas, hydrogen plasma and electrochemically sorbed hydrogen. We then describe the use of hydrogen to modify the surface and bulk properties of various materials with a focus on applications and devices: electronic and optic phase transitions of thin films and related energy devices, surface polishing and cleaning, decrepitation and amorphization of intermetallics, growth of carbon nanostructures and electron emission from diamond-like and graphitic carbon, longrange perturbation of the electron distribution of graphitic structures by hydrogen defects, and the consequences for potential nanoelectronics. Received: 8 November 2000 / Accepted: 20 November 2000 / Published online: 9 February 2001     

The Systematics of Muonium Hyperfine Constants

The hyperfine constants for muonium in elemental and binary inorganic solids suggest formation of three different families of defect centre, with distinct electronic structures. The overall range of values, spanning nearly five orders of magnitude, and their correlation with host properties such as band gap and electron affinity, reveal a deep-to-shallow instability which has profound implications for the electrical properties of hydrogen impurity in electronic materials, both semiconducting and dielectric.     

Modification of the defect substructure in a quenched steel by a low-energy high-current pulsed electron beam

The regularities of evolution of the defect substructure of a previously quenched carbon steel, irradiated with a low-energy high-current microsecond electron beam, have been revealed by diffraction electron microscopy.     

电子助进化学气相沉积金刚石中发射光谱的蒙特卡罗模拟

采用蒙特卡罗方法，对源料气体为CH4/H2混合气的电子助进化学气相沉积（EACVD）中 的氢原子(H)、碳原子(C)以及CH基团的发射过程进行了模拟.研究了CH4浓度、反应室气压 和衬底偏压等工艺参数对发射光谱及成膜的影响.研究发现，CH基团可能是有利于金刚石薄 膜生长的活性基团，而碳原子不是；偏压的升高可提高电子平均温度及衬底表面附近氢原子 的相对浓度；通过氢原子谱线可测定电子平均温度并找到最佳成膜实验条件.该结果对EACVD 生长金刚石薄膜过程中实时监测电子平均温度，有效控制工艺条件，生长出高质量的金刚石 薄膜具有重要的意义. 关键词： 蒙特卡罗模拟 金刚石薄膜 发射光谱     

Effect of atomic hydrogen adsorption on the transport characteristics of semiconducting carbon nanotubes

The effect of atomic hydrogen adsorption on the conduction and diffusion properties of carbon nanotubes of zigzag type in an external electric field is considered. The model of adsorption of atomic hydrogen on the surface of single-walled carbon nanotubes of zigzag type is based on the single-impurity periodic Anderson model. The theoretical calculation of the diffusion coefficient and electrical conductivity of carbon nanotubes of zigzag type doped with hydrogen atoms is carried out in the relaxation time approximation. It has been revealed that the electrical conductivity and electron diffusion coefficient decrease with increasing concentration of adsorbed hydrogen atoms. It has been shown that the dependence of the electrical conductivity and the diffusion coefficient on the amplitude of the constant electric field at the constant concentration of hydrogen adatoms is nonlinear.     

Encapsulation of methane molecules into carbon nanotubes

Methane gas (CH₄) is a chemical compound comprising a carbon atom surrounded by four hydrogen atoms, and carbon nanotubes have been proposed as possible molecular containers for the storage of such gases. In this paper, we investigate the interaction energy between a CH₄ molecule and a carbon nanotube using two different models for the CH₄ molecule, the first discrete and the second continuous. In the first model, we consider the total interaction as the sum of the individual interactions between each atom of the molecule and the nanotube. We first determine the interaction energy by assuming that the carbon atom and one of the hydrogen atoms lie on the axis of the tube with the other three hydrogen atoms offset from the axis. Symmetry is assumed with regard to the arrangement of the three hydrogen atoms surrounding the carbon atom on the axis. We then rotate the atomic position into 100 discrete orientations and determine the average interaction energy from all orientations. In the second model, we approximate the CH₄ molecule by assuming that the four hydrogen atoms are smeared over a spherical surface of a certain radius with the carbon atom located at the center of the sphere. The total interaction energy between the CH₄ molecule and the carbon nanotube for this model is calculated as the sum of the individual interaction energies between both the carbon atom and the spherical surface and the carbon nanotube. These models are analyzed to determine the dimensions of the particular nanotubes which will readily suck-up CH₄ molecules. Our results determine the minimum and maximum interaction energies required for CH₄ encapsulation in different tube sizes, and establish the second model of the CH₄ molecule as a simple and elegant model which might be exploited for other problems.     

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.     

Hydrogen Bonding Between Substituted Phenols and CH3COOCH3 or CH2CICOOCH3: An FTIR Spectroscopic Study

The hydrogen bonded complexes between phenol derivatives and methyl acetate and methyl chloroacetate were studied in carbon tetrachloride solution by FTIR spectroscopy. Temperature variation studies were used to evaluate both formation constants and the enthalpies of complex formation. It is shown that the relative values of enthalpies associated with the hydrogen bonding process in the various studied systems depend mainly on the electron releasing ability of the phenol substituents as well as on the polarization state of the carbonyl bond of the ester. In addition, it is also shown that the observed shifts in the carbonyl stretching frequency upon complexation can be correlated with ΔH, thus providing a useful indirect way of measuring the strength of the hydrogen bond.