Conjugation of Selenophene with Bipyridine for a High Molar Extinction Coefficient Sensitizer in Dye-Sensitized Solar Cells

A high molar extinction coefficient heteroleptic polypyridyl ruthenium sensitizer, featuring a conjugated electron-rich selenophene unit in its ancillary ligand, has been synthesized and demonstrated as an efficient sensitizer in dye-sensitized solar cells. A nanocrystalline titania film stained with this sensitizer shows improved optical absorptivity, which is highly desirable for dye-sensitized solar cells with a thin photoactive layer. With preliminary testing, this sensitizer has already achieved a high efficiency of 10.6% measured under the air mass 1.5 global conditions.

An Extremely High Molar Extinction Coefficient Ruthenium Sensitizer in Dye-Sensitized Solar Cells: The Effects of pi-Conjugation Extension

We report a heteroleptic ruthenium complex (007) featuring the electron-rich 5-octyl-2,2'-bis(3,4-ethylenedioxythiophene) moiety conjugated with 2,2-bipyridine and exhibiting 10.7% power conversion efficiency measured at the AM1.5G conditions, thanks to the enhanced light-harvesting that is closely related to photocurrent. This C107 sensitizer has an extremely high molar extinction coefficient,of 27.4 x 10(3) M-1 cm(-1) at 559 nm in comparison to its analogue C103 (20.5 x 10(3) M-1 cm(-1) at 550 nm) or Z907 (12.2 x 10(3) M(-1)cm(-1) at 521 nm) with the corresponding 5-hexyl-3,4-ethylenedioxythiopliene- or nonyl-substituted bipyridyl unit. The augmentation of molar extinction coefficients and the bathochromic shift of low-energy absorption peaks along with the pi-conjugation extension are detailed by TD-DFT calculations. The absorptivity of mesoporous titania films grafted with Z907, C103, or C107 sublinearly increases with the molar extinction coefficient of sensitizers, which is consistent with the finding derived from the surface coverage measurements that the packing density of those sensitizers decreases with the geometric enlargement of ancillary ligands.

Surface photovoltage spectra and photoelectrochemical properties of semiconductor-sensitized nanostructured TiO2 electrodes

Three kinds of TiO2 nanostructured thin films and their CdS-sensitized films, consisting of different sizes of TiO2 nanoparticles prepared with different methods, have been investigated. The surface photovoltage spectra (SPS) measurements indicate that the density of surface states on TiO2 is likely dependent upon the details of prepared methods. TiO2 particles prepared from basic sol have more surface states than that prepared from acidic sol. When the TiO2 thin films prepared using the TiO2 sols were sensitized by CdS particles, the SPS responses relative to the surface states on TiO2 from 350 to 800 nm were decreased. The photoelectrochemical properties of nanostructured TiO2 electrodes suggest that the fewer the surface states and the smaller the particle sizes of TiO2, the larger the photocurrent response. For CdS sensitized TiO2 thin film electrode, it is shown that the semiconductor sensitization is an efficient way to decrease the influence of surface states on the charge separation, and can improve the intensity of photocurrent response. (C) 2001 Elsevier Science B.V. All rights reserved.

Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles

High Curie temperature of 900 K has been reported in Cr-doped AlN diluted magnetic semiconductors prepared by various methods, which is exciting for spintronic applications. It is believed that N defects play important roles in achieving the high-temperature ferromagnetism in good samples. Motivated by these experimental advances, we use a full-potential density-functional-theory method and supercell approach to investigate N defects and their effects on ferromagnetism of (Al,Cr)N with N vacancies (V-N). We investigate the structural and electronic properties of V-N, single Cr atom, Cr-Cr atom pairs, Cr-V-N pairs, and so on. In each case, the most stable structure is obtained by comparing different atomic configurations optimized in terms of the total energy and the force on every atom, and then it is used to calculate the defect formation energy and study the electronic structures. Our total-energy calculations show that the nearest substitutional Cr-Cr pair with the two spins in parallel is the most favorable and the nearest Cr-V-N pair makes a stable complex. Our formation energies indicate that V-N regions can be formed spontaneously under N-poor condition because the minimal V-N formation energy equals -0.23 eV or Cr-doped regions with high enough concentrations can be formed under N-rich condition because the Cr formation energy equals 0.04 eV, and hence real Cr-doped AlN samples are formed by forming some Cr-doped regions and separated V-N regions and through subsequent atomic relaxation during annealing. Both of the single Cr atom and the N vacancy create filled electronic states in the semiconductor gap of AlN. N vacancies enhance the ferromagnetism by adding mu(B) to the Cr moment each but reduce the ferromagnetic exchange constants between the spins in the nearest Cr-Cr pairs. These calculated results are in agreement with experimental observations and facts of real Cr-doped AlN samples and their synthesis. Our first-principles results are useful to elucidate the mechanism for the ferromagnetism and to explore high-performance Cr-doped AlN diluted magnetic semiconductors.

Influence of nitrogen annealing on electrical properties of lead zirconate titanate thin film deposited on titanium metal foil

We report on improved electrical properties of lead zirconate titanate (PZT) film deposited on titanium metal foil using nitrogen annealing. After nitrogen annealing of the PZT capacitors, symmetric capacitance-voltage (C-V) characteristics, higher dielectric constant and breakdown field, less change of dielectric constant with frequency, lower dielectric loss and leakage current are obtained. (C) 2003 Elsevier B.V. All rights reserved.

Hydrate dissociation conditions for gas mixtures containing carbon dioxide, hydrogen, hydrogen sulfide, nitrogen, and hydrocarbons using SAFT

A new method, a molecular thermodynamic model based on statistical mechanics, is employed to predict the hydrate dissociation conditions for binary gas mixtures with carbon dioxide, hydrogen, hydrogen sulfide, nitrogen, and hydrocarbons in the presence of aqueous solutions. The statistical associating fluid theory (SAFT) equation of state is employed to characterize the vapor and liquid phases and the statistical model of van der Waals and Platteeuw for the hydrate phase. The predictions of the proposed model were found to be in satisfactory to excellent agreement with the experimental data.

Doped polycrystalline 3C-SiC films deposited by LPCVD for radio-frequency MEMS applications

Polycrystalline 3C-SiC films are deposited on SiO2 coated Si substrates by low pressure chemical vapour deposition (LPCVD) with C3H8 and SiH4 as precursors. Controlled nitrogen doping is performed by adding NH3 during SiC growth to obtain the low resistivity 3C-SiC films. X-ray diffraction (XRD) patterns indicate that the deposited films are highly textured (111) orientation. The surface morphology and roughness are determined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The surface features are spherulitic texture with average grain size of 100 nm, and the rms roughness is 20nm (AFM 5 x 5 mu m images). Polycrystalline 3C-SiC films with highly orientational texture and good surface morphology deposited on SiO2 coated Si substrates could be used to fabricate rf microelectromechanical systems (MEMS) devices such as SiC based filters.

Fabrication and Infrared Optical Properties of Nano Vanadium Dioxide Thin Films

Vanadium dioxide thin films were fabricated by ion beam sputtering on Si3N4/SiO2/Si after a post reductive annealing process in a nitrogen atmosphere. X-ray Diffraction (XRD), scanning electron microscope (SEM), and X-ray photoelectron spectroscopy (XPS) were employed to analyze the effects of post annealing temperature on crystallinity, morphology, and composition of the vanadium oxide thin films. Transmission properties of vanadium dioxide thin films were measured by Fourier transform-infrared (FT-IR) spectroscopy. The results showed that the as-deposited vanadium oxide thin films were composed of non-crystalline V2O5 and a tetragonal rutile VO2. After annealing at 400 degrees C for 2 h, the mixed phase vanadium oxide (VOx) thin film changed its composition and structure to VO2 and had a (011) oriented monoclinic rutile structure. When increasing the temperature to 450 degrees C, nano VO2 thin films with smaller grains were obtained. FT-IR results showed that the transmission contrast factor of the nano VO2 thin film was more than 0.99 and the transmission of smaller grain nano VO2 thin film was near zero at its switched state. Nano VO2 thin film with smaller grains is an ideal material for application in optical switching devices.

Photoluminescence of Er-doped hydrogenated amorphous silicon nitride

Er photoluminescence (Er PL) and dangling bonds (DBs) of annealed Er-doped hydrogenated amorphous silicon nitride (a-SiN:H(Er)) with various concentrations of nitrogen are studied in the temperature range 62-300 K. Post-annealing process is employed to change the DBs density of a-SiN:H(Er). PL spectra, DBs density and H, N concentrations are measured. The intensity of Er PL displays complicated relation with Si DBs density within the annealing temperature range 200-500 degreesC. The intensity of Er PL first increases with decreasing density of Si dangling bonds owing to the structural relaxation up to 250 degreesC, and continues to increase up to 350 degreesC even though the density of Si DBs increases due to the improvement of symmetry environment of Er3+. (C) 2003 Elsevier B.V. All rights reserved.

Study on optical properties of Er/Er+O doped GaN thin films

We extend the use of Raman spectroscopy to investigate the modes of Er-implanted and Er + O co-implanted GaN, and discuss the influence of O ions on Er3+ -related infrared photoluminescence (PL). It is found that Er3+ implantation introduces new Raman peaks in Raman spectra at frequencies 300 and 670 cm and one additional new peak at 360cm is introduced after Er + O implantation. It is proposed that the broad structure around 300 cm(-1) mode originates from disorder-activated scattering (DARS). The Raman peak at 670 cm is assigned to nitrogen vacancy related defects. The 360 cm peak is attributed to the O implantation induced defect complexes (vacancies, interstitial, or anti-sites in the host). The appearance of the 360 cm(-1) mode results in the decrease of the Er3+ -related infrared PL of GaN: Er + O.

Fabrication and properties of Sb-doped ZnO thin films grown by radio frequency (RF) magnetron sputtering

Sb-doped and undoped ZnO thin films were deposited on Si (100) substrates by radio frequency (RF) magnetron sputtering. X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses revealed that all the films had polycrystalline wurtzite structure and c-axis preferred orientation. Room temperature Hall measurements showed that the as-grown films were n-type and conducting (rho similar to 1-10 Omega cm). Annealing in a nitrogen ambient at 400 degrees C for 1 h made both samples highly resistive (rho > 10(3) Omega cm). Increasing the annealing temperature up to 800 C, the resistivity of the ttndoped ZnO film decreased gradually, but it increased for the Sb-doped ZnO film. In the end, the Sb-doped ZnO film annealed at 800 C became semi-insulating with a resistivity of 10(4)Omega cm. In addition, the effects of annealing treatment and Sb-doping on the structural and electrical properties are discussed. (c) 2006 Elsevier B.V. All rights reserved.

The growth of an AlGaN/GaN modulation-doped heterostructure by NH3 source molecular beam epitaxy

Using NH3 cracked on the growing surface as the nitrogen precursor, an AlGaN/GaN modulation-doped (MD) heterostructure without a buffer layer was grown on a nitridated sapphire substrate in a home-made molecular beam epitaxy (MBE) system. Though the Al composition is as low as 0.036, as deduced from photoluminescence (PL) measurements, the AlGaN barrier layer can be an efficient carrier supplier for the formation of a two-dimensional electron gas (2DEG) at the heterointerface. The 2DEG characteristics are verified by the variable temperature Hall measurements down to 7 K. Using a parallel conduction model, we estimate the actual mobility of the 2DEG to be 1100 cm(2)/V s as the sheet carrier density to be 1.0 x 10(12) cm(-2). Our results show that the AlGaN/GaN system is very suitable for the fabrication of high electron mobility transistors (HEMTs). (C) 1998 Elsevier Science B.V. All rights reserved.

Effects of nitrogen fertilization on soil respiration in temperate grassland in Inner Mongolia, China

Nitrogen addition to soil can play a vital role in influencing the losses of soil carbon by respiration in N-deficient terrestrial ecosystems. The aim of this study was to clarify the effects of different levels of nitrogen fertilization (HN, 200 kg N ha(-1) year(-1); MN, 100 kg N ha(-1) year(-1); LN, 50 kg N ha(-1) year(-1)) on soil respiration compared with non-fertilization (CK, 0 kg N ha(-1) year(-1)), from July 2007 to September 2008, in temperate grassland in Inner Mongolia, China. Results showed that N fertilization did not change the seasonal patterns of soil respiration, which were mainly controlled by soil heat-water conditions. However, N fertilization could change the relationships between soil respiration and soil temperature, and water regimes. Soil respiration dependence on soil moisture was increased by N fertilization, and the soil temperature sensitivity was similar in the treatments of HN, LN, and CK treatments (Q (10) varied within 1.70-1.74) but was slightly reduced in MN treatment (Q (10) = 1.63). N fertilization increased soil CO2 emission in the order MN > HN > LN compared with the CK treatment. The positive effects reached a significant level for HN and MN (P < 0.05) and reached a marginally significant level for LN (P = 0.059 < 0.1) based on the cumulative soil respiration during the 2007 growing season after fertilization (July-September 2007). Furthermore, the differences between the three fertilization treatments and CK reached the very significant level of 0.01 on the basis of the data during the first entire year after fertilization (July 2007-June 2008). The annual total soil respiration was 53, 57, and 24% higher than in the CK plots (465 g m(-2) year(-1)). However, the positive effects did not reach the significant level for any treatment in the 2008 growing season after the second year fertilization (July-September 2008, P > 0.05). The pairwise differences between the three N-level treatments were not significant in either year (P > 0.05).