Electronic band Structure and Photoemission Spectra of Graphene on Silicon Substrate

Synergizing graphene on silicon based nanostructures is pivotal in advancing nano-electronic device technology. A combination of molecular dynamics and density functional theory has been used to predict the electronic energy band structure and photo-emission spectrum for graphene-Si system with silicon as a substrate for graphene. The equilibrium geometry of the system after energy minimization is obtained from molecular dynamics simulations. For the stable geometry obtained, density functional theory calculations are employed to determine the energy band structure and dielectric constant of the system. Further the work function of the system which is a direct consequence of photoemission spectrum is calculated from the energy band structure using random phase approximations.

Ordered Pd2Ge Intermetallic Nanoparticles as Highly Efficient and Robust Catalyst for Ethanol Oxidation

Pd2Ge nanoparticles were synthesized by superhydride reduction of K2PdCl4 and GeCl4. The syntheses were performed using a solvothermal method in the absence of surfactants, and the size of the nanoparticles was controlled by varying the reaction time. The powder X-ray diffraction (PXRD) and transmission electron microscopy data suggest that Pd2Ge nanoparticles were formed as an ordered intermetallic phase. In the crystal structure, Pd and Ge atoms occupy two different crystallographic positions with a vacancy in one of the Ge sites, which was proved by PXRD and energy-dispersive X-ray analysis. The catalyst is highly efficient for the electrochemical oxidation of ethanol and is stable up to the 250th cycle in alkaline medium. The electrochemical active surface area and current density values obtained, 1.41 cm(2) and 4.1 mA cm(-2), respectively, are superior to those of the commercial Pd on carbon. The experimentally observed data were interpreted in terms of the combined effect of adsorption energies of CH3CO and OH radical, d-band center model, and work function of the corresponding catalyst surfaces.

Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.

Anomalous n-type electrical behaviour of Pd-contacted CNTFET fabricated on small-diameter nanotube.

A Pd-contacted dopant-free CNTFET with small-diameter (0.57 nm) carbon nanotube showing an anomalous n-type electrical characteristic is reported for the first time. This observed behaviour is attributed to a carbon nanotube work function higher than (or close to) palladium as well as a large hole-to-electron effective mass ratio of approximately 2.5 predicted by hybridization in small-diameter nanotubes. A variation of the conduction type with temperature is also observed and is attributed to an increase of the palladium work function and decrease of the CNT work function with increasing temperature.

Tetrahedrally bonded amorphous carbon for field-emission displays

Field emission from a series of tetrahedrally bonded amorphous-carbon (ta-C) films, deposited in a filtered cathodic vacuum arc, has been measured. The threshold field for emission and current densities achievable have been investigated as a function of sp3/sp2 bonding ratio and nitrogen content. Typical as-grown undoped ta-C films have threshold fields of the order 10-15 V/μm and optimally nitrogen doped films exhibited fields as low as 5 V/μm. In order to gain further understanding of the mechanism of field emission, the films were also subjected to H2, Ar, and O2 plasma treatments and were also deposited onto substrates of different work function. The threshold field, emission current, emission site densities were all significantly improved by the plasma treatment, but little dependence of these properties on work function of the substrate was observed. This suggests that the main barrier to emission in these films is at the front surface.

Field emission site densities of nanostructured carbon

The field emission properties of nanostructured carbon films deposited by cathodic vacuum arc in a He atmosphere have been studied by measuring the emission currents and the emission site density. The films have an onset field of ∼ 3 V/μm. The emission site density is viewed on a phosphor anode and it increases rapidly with applied field. It is assumed that the emission occurs from surface regions with a range of field enhancement factors but with a constant work function. The field enhancement factor is found to have an exponential distribution.

Enhancement of field emission properties in La-doped ZnO films prepared by magnetron sputtering

Field emissions (FE) from La-doped zinc oxide (ZnO) films are both experimentally and theoretically investigated. Owing to the La-doped effect, the FE characteristic of ZnO films is remarkably enhanced compared with an undoped sample, and a startling low turn-on electric field of about 0.4 V/mu m (about 2.5 V/mu m for the undoped ZnO films) is obtained at an emission current density of 1 mu A/cm(2) and the stable current density reaches 1 mA/cm(2) at an applied field of about 2.1 V/mu m. A self-consistent theoretical analysis shows that the novel FE enhancement of the La-doped sample may be originated from its smaller work function. Due to the effect of doping with La, the Fermi energy level lifts, electrons which tunnelling from surface barrier are consumedly enhancing, and then leads to a huge change of field emission current. Interestingly, it suggests a new effective method to improve the FE properties of film materials.

PHOTOEMISSION-STUDY ON THE SNO2/P A-SICX-H INTERFACE

Ultraviolet and X-ray photoemission spectroscopies (UPS and XPS) have been employed to SnO2 and its interface with P-type a-SiCx:H. The HeI valence band spectra of SnO2 show that the valence band maximum (VBM) shifts from 4.7 eV to 3.6 eV below the Fermi level (E(F)), and the valence band tail (VBT) extends up to the E(F), as a consequence of H-plasma treatments. The work function difference between SnO2 and P a-SiCx:H is found to decrease from 0.98 eV to 0.15 eV, owing to the increase of the work function of the treated SnO2. The reduction of SnO2 to metallic Sn is also observed by XPS profiling, and it is found that this leads to a wider interfacial region between the treated SnO2 and the successive growth of P a-SiCx:H.

Slow highly charged ions induced electron emission from clean Si surfaces

The electron emission yields from the interaction of slow highly charged ions (SHCI) He2+, O2+ and Ne2+ with clean Si surface are measured separately. It is found that electron emission yield gamma increases proportionally to projectile kinetic energy E-p/M-p, ranging from 0.75 keV/u to 10.5 keV/u (i.e. 3.8 x 10(5) m/s <= v(p) <= 1.42 x 10(6) m/s), and it is higher for heavy ions (O2+ and Ne2+) than for light ion (He2+). For O2+ and Ne2+, gamma increases with Z(p) decreasing in our energy range, and it shows quite different from the result for higher projectile kinetic energy. After calculating the stopping power by using TRIM 2006, it is found that the fraction of secondary electrons induced by recoil atoms increases significantly at lower projectile energy, thereby leads to the differences in gamma for heavy ions O2+ and Ne2+ between lower and higher projectile kinetic energy.

云雾山封育草原对表土持水性的影响

应用离心机法测定土壤水分特征,研究黄土高原典型草原带退耕地植被恢复演替过程中土壤持水性能的变化特点及趋势。结果表明:土壤含水量与土壤水吸力之间符合幂函数θ=aSb,参数a的变化随着植被的演替呈增加趋势;由于植被的影响,在同一吸力范围内的土壤含水量不同,植被为顶级长芒草(Stipabungeana)群落时,土壤在各吸力段的含水量最高,坡耕地最低;其它群落土壤含水量随着水吸力的增加变化趋于一致;退耕地植被在演替过程中通过提高土壤有机质含量改善结构,降低容重并增加毛管孔隙度,对土壤的储水和持水性能产生作用。

The modification of self-assembled monolayer on indium tin oxide as cathode in inverted bottom-emitting organic light-emitting diodes

Self-assembled monolayers (SAMs) of a series of p-substituted benzoyl chlorides were formed on indium tin oxide as the cathode for the fabrication of inverted bottom-emitting organic light-emitting diodes (IBOLEDs). The studies on the efficiency of electron injection and device performances showed that the direct tunneling of electron and the formation of dipole associated with the monolayer-forming molecule lead to significant enhancement in electron injection. Consequently, the device efficiency is greatly improved.

Surface potential images of polycrystalline organic semiconductors obtained by Kelvin probe force microscopy

P-type copper phthalocyanine (CuPc) and n-type hexadecafluorophthalocyanina-tocopper (F16CuPc) polycrystalline films were investigated by Kelvin probe force microscopy (KPFM). Topographic and corresponding surface potential images are obtained simultaneously. Surface potential images are related with the local work function of crystalline facets and potential barriers at the grain boundaries (GBs) in organic semiconductors. Based on the spatial distribution of surface potential at GBs, donor- and acceptor-like trapping states in the grain boundaries (GBs) of p-CuPc and n-F16CuPc films are confirmed respectively.

Performance Enhancement of Polymer Light-Emitting Diodes by Using Ultrathin Fluorinated Polyimide Modifying the Surface of Poly(3,4-ethylene dioxythiophene):Poly(styrenesulfonate)

Herein, an insulating fluorinated polyimide (F-PI) is utilized as an ultrathin buffer layer of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) in polymer light-emitting diodes to enhance the device performance. The selective solubility of F-PI in common solvents avoids typical intermixing interfacial problems during the sequential multilayer spin-coating process. Compared to the control device, the F-PI modification causes the luminous and power efficiencies of the devices to be increased by a factor of 1.1 and 4.7, respectively, along with almost 3-fold device lifetime enhancement. Photovoltaic measurement, single-hole devices, and X-ray photoelectron spectroscopy, are utilized to investigate the underlying, mechanisms, and it is found that the hole injection barrier is lowered owing to the interactions between the PEDOT:PSS and F-PI. The F-PI modified PEDOT:PSS layer demonstrates step-up ionization potential profiles from the intrinsic bulk PEDOT:PSS side toward the F-PI-modified PEDOT:PSS surface, which facilitate the hole injection.

Efficient inverted top-emitting organic light-emitting diodes using ultrathin MoO3/C-60 bilayer structure to enhance hole injection

Efficient inverted top-emitting organic light-emitting diodes with aluminum (Al) as both the cathode and semitransparent anode are investigated. It is found that introduction of the ultrathin molybdenum trioxide (MoO3)/fullerene (C-60) bilayer structure between the low work function Al top anode and the hole-transporting layer dramatically enhances the device performance as compared to the devices with sole MoO3 or C-60 buffer layer. The ultraviolet photoemission spectroscopy and x-ray photoelectron spectroscopy indicate that the hole injection barrier between Al anode and hole-transporting layer is effectively reduced via strong dipole effect at Al/MoO3/C-60 interfaces with its direction pointing from Al to C-60.