Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: a first principle study

To search for a high sensitivity sensor for formaldehyde (H2CO), We investigated the adsorption of H2CO on the intrinsic and Al-doped graphene sheets using density functional theory (DFT) calculations. Compared with the intrinsic graphene, the Al-doped graphene system has high binding energy value and short connecting distance, which are caused by the chemisorption of H2CO molecule. Furthermore, the density of states (DOS) results show that orbital hybridization could be seen between H2CO and Al-doped graphene sheet, while there is no evidence for hybridization between the H2CO molecule and the intrinsic graphene sheet. Therefore, Al-doped graphene is expected to be a novel chemical sensor for H2CO gas. We hope our calculations are useful for the application of graphene in chemical sensor.

Quantum tunneling through graphene nanorings

We investigate theoretically quantum transport through graphene nanorings in the presence of a perpendicular magnetic field. Our theoretical results demonstrate that the graphene nanorings behave like a resonant tunneling device, contrary to the Aharonov-Bohm oscillations found in conventional semiconductor rings. The resonant tunneling can be tuned by the Fermi energy, the size of the central part of the graphene nanorings and the external magnetic field.

Resonant tunneling through double-bended graphene nanoribbons

We investigate theoretically resonant tunneling through double-bended graphene nanoribbon (GNR) structures, i.e., armchair-edged GNRs (AGNRs) in between two semi-infinite zigzag GNR leads. Our numerical results demonstrate that the resonant tunneling can be tuned dramatically by the Fermi energy and the length and/or widths of the AGNR for both the metallic and semiconductorlike AGNRs. The structure can also be use to control the valley polarization of the tunneling currents and could be useful for potential application in valleytronics devices. (C) 2008 American Institute of Physics.

Tuning of energy levels and optical properties of graphene quantum dots

We investigate theoretically the magnetic levels and optical properties of zigzag- and armchair-edged hexagonal graphene quantum dots (GQDs) utilizing the tight-binding method. A bound edge state at zero energy appears for the zigzag GQDs in the absence of a magnetic field. The magnetic levels of GQDs exhibit a Hofstadter-butterfly spectrum and approach the Landau levels of two-dimensional graphene as the magnetic field increases. The optical properties are tuned by the size, the type of the edge, and the external magnetic field.

Raman and infrared properties and layer dependence of the phonon dispersions in multilayered graphene

The symmetry group analysis is applied to classify the phonon modes of N-stacked graphene layers (NSGLs) with AB and AA stacking, particularly their infrared and Raman properties. The dispersions of various phonon modes are calculated in a multilayer vibrational model, which is generalized from the lattice vibrational potentials of graphene to including the interlayer interactions in NSGLs. The experimentally reported redshift phenomena in the layer-number dependence of the intralayer optical C-C stretching mode frequencies are interpreted. An interesting low-frequency interlayer optical mode is revealed to be Raman or infrared active in even or odd NSGLs, respectively. Its frequency shift is sensitive to the layer number and saturated at about 10 layers.

Theory of huge tunneling magnetoresistance in graphene

We investigate theoretically the spin-independent tunneling magnetoresistance effect in a graphene monolayer modulated by two parallel ferromagnets deposited on a dielectric layer. For the parallel magnetization configuration, Klein tunneling can be observed in the transmission spectrum but at specific oblique incident angles. For the antiparallel magnetization configuration, the transmission can be blocked by the magneticelectric barrier provided by the ferromagnets. Such a transmission discrepancy results in a tremendous magnetoresistance ratio and can be tuned by the inclusion of an electric barrier.

Resonant tunneling through S- and U-shaped graphene nanoribbons

We theoretically investigate resonant tunneling through S- and U-shaped nanostructured graphene nanoribbons. A rich structure of resonant tunneling peaks is found emanating from different quasi-bound states in the middle region. The tunneling current can be turned on and off by varying the Fermi energy. Tunability of resonant tunneling is realized by changing the width of the left and/or right leads and without the use of any external gates.

The Hartman effect in graphene

We investigate theoretically the Hartman effect in quantum tunneling through single and double barriers in a single graphene layer. The numerical results indicate that the Hartman effect in graphene depends heavily on the incident angle and the energy of the carrier in the tunneling process through single and double barriers. We find that the Hartman effect disappears for normal incidence and appears when the incident angle and energy are larger than some critical values.

Growth of CeO2 : Bi12SiO20 crystals in multi-position furnace(II) - Space growth experiment

Ce-doped Bi12SiO20 single crystal with size of phi10mm x 40mm was successfully grown in space on board of the spacecraft Shenzhou No.3. The surface morphology of space-grown crystal is different from that of ground-grown crystal The space- and ground-grown crystals were measured by X-ray rocking curves, absorption spectra and micro-Raman spectra. The results show that the quality of Ce-deped crystal grown in space is better than that of the ground-grown one. The effect of doping on optical properties of BSO grown in space is evident in comparison with the ground-grown crystal.

Enhanced visibility of graphene: Effect of one-dimensional photonic crystal

We investigate theoretically the light reflectance of a graphene layer prepared on the top of one-dimensional Si/SiO2 photonic crystal (1DPC). It is shown that the visibility of the graphene layers is enhanced greatly when 1DPC is added, and the visibility can be tuned by changing the incident angle and light wavelengths. This phenomenon is caused by the absorption of the graphene layer and the enhanced reflectance of the 1DPC. (C) 2007 American Institute of Physics.

Violet/blue photoluminescence from CeO2 thin film

CeO2 thin film was fabricated by dual ion beam epitaxial technique. The violet/blue PL at room temperature and lower temperature was observed from the CeO2 thin film. After the analysis of crystal structure and valence in the compound was carried out by the XRD and XPS technique, it was inferred that the origin of CeO2 PL was due to the electrons transition from Ce4f band to O2p band and the defect level to O2p band. And these defects levels were located in the range of 1 eV around Ce4f band.

Growth and photoluminescence of epitaxial CeO2 film on Si (111) substrate

A CeO2 film with a thickness of about 80nm was deposited by a mass-analysed low-energy dual ion beam deposition technique on an Si(111) substrate. Reflection high-energy electron diffraction and x-ray diffraction measurements showed that the film is a single crystal. The tetravalent state of Ce in the film was confirmed by x-ray photoelectron spectroscopy measurements, indicating that stoichiometric CeO2 was formed. Violet/blue light emission (379.5 nm) was observed at room temperature, which may be tentatively explained by charge transitions from the 4f band to the valence band of CeO2.

A study of the interface of CeO2/Si heterostructure grown by ion beam deposition

Epitaxial cerium dioxide films on single-crystal silicon substrates (CeO2/Si) have been grown by a dual mass-analyzed low-energy ion beam deposition (IBD) system. By double-crystal X-ray diffraction (XRD), Full Width at Half Maximum (FWHM) are 23' and 33' in the rocking curves for (222) and (111) faces of the CeO2 film, respectively, and the lattice-mismatch Delta a/a with the substrate is about - 0.123%. The results show that the CeO2/Si grown by IBD is of high crystalline quality. In this work, the CeO2/Si heterostructure were investigated by X-ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES) measurements. Especially, XPS and AES depth profiling was used to analyze the compositions and structures in the interface regions of the as-grown and post-annealed CeO2/Si. It was found that there was no silicon oxide in the interface region of the as-grown sample but silicon oxide in the post-annealed sample. The reason for obtaining such high quality heterostructure mainly depends on the absence of silicon oxide in the surface at the beginning of the deposition. (C) 1998 Elsevier Science Ltd. All rights reserved.

Identification of induced reaction during XPS depth profile measurements of CeO2/Si films grown by ion beam epitaxy

An anomalous behavior was observed in X-ray photoelectron Spectroscopy (XPS) depth profile measurements conducted on CeO2/Si epilayers grown by ion beam epitaxy (IBE): the signals of Ce3+ and Ce4+ co-exist, and the ratio between them increases during the etching time and then tends to maintain a constant level before increasing again. The results of X-ray Diffraction (XRD), Auger Electron Spectroscopy (AES), and Rutherford Back-Scattering (RES) measurements proved that the reduction chemical reaction of CeO2 is induced by ion-etching. (C) 1998 Elsevier Science Ltd. All rights reserved.

Mechanism of induced reaction during XPS depth profile measurements of CeO2/Si films grown by ion beam epitaxy

In a search for the mechanism of the induced reduction reaction that occurred in X-ray photoelectron Spectroscopy (XPS) depth profiles measured experimentally on CeO2/Si epilayers grown by ion beam epitaxy (IBE), several possibilities have been checked. The first possibility, that the X-ray induces the reaction, has been ruled out by experimentation. Other possible models for the incident-ion induced reaction, one based on short-range interaction (direct collision) and the other based on long-range potential accompanied with the incident-ions, have been tested by simulation on computer. The results proved that the main mechanism is the former, not the latter. (C) 1998 Elsevier Science Ltd. All rights reserved.