Atomic structure of cadmium sulfide nanoparticles

A method for calculating the x-ray diffraction patterns of cadmium sulfide nanoparticles with a disordered internal structure, a real surface, shape, and size is proposed within the kinematic theory of scattering. A computer analysis has revealed that the characteristic shape of the experimental x-ray diffraction patterns of cadmium sulfide films and powders is determined by a specific disordered nanoparticle structure differing from the crystal structures of wurtzite and sphalerite. According to the computer simulation, cadmium sulfide nanoparticles synthesized through chemical deposition have a shape similar to a hexagonal prism with a characteristic size of approximately 5 nm.     

影响纳米Cu固体材料性能的工艺参数研究

 采用正交试验方法，通过XRD，MHV2000型显微硬度计（数显）和基于浮力原理等测试手段研究了压制压力、保压时间、退火温度和退火时间对自悬浮定向流－冷压法制备纳米Cu固体材料性能（晶粒大小、密度及显微硬度）的影响。结果表明：对晶粒度而言，退火温度是显著性影响因素，同时表明纳米Cu固体具有较好的热稳定性；对密度而言，压制压力是显著性影响因素；对显微硬度而言，退火时间是显著性影响因素。     

Synthesis of nanocrystalline CdS thin film by SILAR and their characterization

Cadmium sulphide (CdS) thin film was prepared by successive ion layer adsorption and reaction (SILAR) technique using ammonium sulphide as anionic precursor. Characterization techniques of XRD, SEM, TEM, FTIR and EDX were utilized to study the microstructure of the films. Structural characterization by x-ray diffraction reveals the polycrystalline nature of the films. Cubic structure is revealed from X-ray diffraction and selected area diffraction (SAD) patterns. The particle size estimated using X-ray line broadening method is approximately 7 nm. Instrumental broadening was taken into account while particle size estimation. TEM shows CdS nanoparticles in the range 5–15 nm. Elemental mapping using EFTEM reveals good stoichiometric composition of CdS. Characteristic stretching vibration mode of CdS was observed in the absorption band of FTIR spectrum. Optical absorption study exhibits a distinct blue shift in band gap energy value of about 2.56 eV which confirms the size quantization.     

CdS thin films obtained by thermal treatment of cadmium(II) complex precursor deposited by MAPLE technique

Thin films of [Cd{SSi(O-Bu^t)₃}(S₂CNEt₂)]₂, precursor for semiconducting CdS layers, were deposited on silicon substrates by Matrix-Assisted Pulsed Laser Evaporation (MAPLE) technique. Structural analysis of the obtained films by Fourier transform infrared spectroscopy (FTIR) confirmed the viability of the procedure. After the deposition of the coordination complex, the layers are manufactured by appropriate thermal treatment of the system (thin film and substrate), according to the thermal analysis of the compound. Surface morphology of the thin films was investigated by atomic force microscopy (AFM) and spectroscopic-ellipsometry (SE) measurements.     

Exciton emissions of CdS nanowire array fabricated on Cd foil by the solvothermal method

Nanowires have recently attracted more attention because of their low-dimensional structure, tunable optical and electrical properties for next-generation nanoscale optoelectronic devices. Cd S nanowire array, which is(002)-orientation growth and approximately perpendicular to Cd foil substrate, has been fabricated by the solvothermal method. In the temperature-dependent photoluminescence, from short wavelength to long wavelength, four peaks can be ascribed to the emissions from the bandgap, the transition from the holes being bound to the donors or the electrons being bound to the acceptors, the transition from Cd interstitials to Cd vacancies, and the transition from S vacancies to the valence band,respectively. In the photoluminescence of 10 K, the emission originated from the bandgap appears in the form of multiple peaks. Two stronger peaks and five weaker peaks can be observed. The energy differences of the adjacent peaks are close to 38 me V, which is ascribed to the LO phonon energy of Cd S. For the multiple peaks of bandgap emission, from low energy to high energy, the first, second, and third peaks are contributed to the third-order, second-order, and first-order phonon replica of the free exciton A, respectively;the fourth peak is originated from the free exciton A;the fifth peak is contributed to the first-order phonon replica of the excitons bound to neutral donors;the sixth and seventh peaks are originated from the excitons bound to neutral donors and the light polarization parallel to the c axis of hexagonal Cd S, respectively.     

Deposition conditions in tailoring the morphology of highly porous reticular films prepared by electrostatic spray deposition (ESD) technique

Spongy-like reticular structure is a unique morphology fabricated by electrostatic spray deposition (ESD) technique. The effects of solvent, substrate temperature, precursor feeding rate, static electric field strength, and deposition time on tailoring the reticular structure were investigated. Scanning electron microscopy was used to observe the film morphology. MnO_x or LiMn₂O₄ were selected as the model materials. It is found that in addition to the conventional solvent butyl carbitol, other kinds of solvents such as ethylene glycol and propylene glycol can also be used to obtain reticular films at a suitable substrate temperature. Porous films with a low cross-linking degree pore structure can be prepared by increasing precursor feeding rate or decreasing substrate temperature. Increasing the deposition time or the electric field strength helps to obtain reticular films with more homogeneous pore size distribution. In addition, the addition of a high boiling-point solvent in mixed alcohol solvent results in the increase of proper substrate temperature. It is concluded that the fluidity of the spray droplets on the surface of a hot substrate is an important factor to form a reticular film.     

Photocorrosion of cadmium sulfide: Analysis by photoelectron spectroscopy

Photocorrosion of cadmium sulfide electrodes in aqueous electrolytes leads to sulfate formation in the presence and to sulfur formation in the absence of oxygen. All three sulfur species involved (S²⁻, S⁰ and SO²⁻₄) can be detected on CdS electrodes after treatment in photoelectrochemical cells using AES or XPS. Both, the S2p/3p XPS and the S Auger peaks are broadened on photoelectrochemical oxidized CdS due to deposition of elemental sulfur. The XPS binding energy of the S electrons is shifted by about 1 eV per sulfur oxidation step from around 161.5 eV for S²⁻ to around 163.5 eV for S⁰ and around 168 eV for SO²⁻₄. The results obtained by photoelectron spectroscopy of electrodes transferred from the electrolyte directly into the UHV system without any cleaning and special precautions are in excellent agreement with the predictions based on photoelectrochemical experiments. For example, it could be proved by XPS that sulfur was transformed into sulfate in a reductive oxidation step in the presence of oxygen, leading to the CdS surface being cleaned of S⁰.     

Modification of structure, morphology and physical properties of tin sulfide thin films by pulsed laser irradiation

This paper presents modification of tin sulfide (SnS) thin films by pulsed laser irradiation. Tin sulfide films of 1 μm thickness were prepared using chemical bath deposition (CBD) technique. The chemical bath contained 5 ml acetone, 12 ml of triethanolamine, 8 ml of 1 M thioacetamide, 10 ml of 4 M ammonium hydroxide and 65 ml of distilled water. The chemical bath was kept at a constant temperature of 60 °C for 6 h which resulted in SnS films with 500 nm thickness. By double deposition, the final thickness of SnS thin films obtained was 1 μm. Laser processing was conducted to modify the structure, morphology and physical properties of the SnS thin films. The laser specifications were pulsed Nd:YAG laser with 532 nm wavelength, 300 mJ pulse energy and 10 ns pulse width. Properties of the laser-irradiated SnS thin films were compared with the as-prepared SnS thin films. The changes in structure, morphology, optical and electrical properties of the laser-irradiated SnS thin films were described.     

Improvement of ZnO nanorod based quantum Dot (cadmium sulfide) sensitized solar cell efficiency by aluminum doping

This study investigates the performance of quantum dot sensitized solar cells (QDSSCs) based on aluminum (Al)-doped and undoped ZnO nanorods. Current density–voltage (J–V) characterization shows that Al doping into ZnO nanorods (AZO NRs) can improve short circuit current density (J_sc) and the energy conversion efficiency (η) of QDSSCs. The maximum η=1.15% is achieved in QDSSCs when Al concentration is 0.5 wt%, as compared to undoped state where η=0.57%. These current densities and the energy conversion efficiency improvement are studied using the electrochemical impedance spectroscopy (EIS). EIS results indicate that the electron transport resistance in the photoanode of QDSCs is reduced with introduction of Al into ZnO structure, which leads to increasing J_sc. It is also found that recombination resistance reduces with introduction of Al into ZnO because of the upward displacement of Fermi level with respect to AZO conduction band (CB) and increasing electron density in the ZnO CB. This reduction of recombination resistance causes higher recombination rate in QDSCs based AZO NRs.     

The effect of solvent on the crystal structure and size distribution of cadmium sulfide nanocrystals

CdS nanocrystals with different structures were synthesized by the method of solution precipitation using thiourea and cadmium acetate as starting materials in different solvents: water, methanol and N,N-dimethylformamide (DMF). Our results show that the solvent has direct effect on the structure and size of the final nanoparticles. It was found that using DMF, as a solvent, results in producing smaller nanoparticles with the cubic structures, while using the other solvents gives rise to larger nanoparticles with the hexagonal structure. It was also found that using heat during washing the precipitate results in a more homogenous size distribution of CdS nanocrystals. On the basis of our experimental results we also suggest a critical structure transformation size.     

The effect of crystal structure on the photoelectric properties of thin cadmium sulfide layers

The results presented are of an investigation into the photoelectric properties of polycrystalline cadmium sulfide layers obtained by thermal evaporation in vacuum. In producing the layers the substrate temperature was varied over the range 80 °–500 ° C, and in addition the layers were heated in air. It was found that the spectral distribution of the photocurrent, the absolute and relative phbtosensitivity, and the relaxation time depend to a marked extent on the substrate temperature. These differences are connected with a change in the degree of defectiveness and phase compositions of the polycrystalline cadmium sulfide layers.     

Controlling structure and morphology of CoPt nanoparticles through dynamical or static coalescence effects

The structure and morphology of 1 to 3 nm size CoPt nanoparticles have been investigated in situ and in real time under different conditions: growth at 500 degrees C or at room temperature (RT) followed by annealing at 500 degrees C. The small-angle x-ray scattering measurements show size and temperature dependent growth mode with particle motions on the surface, while wide-angle scattering results, supported by Monte Carlo simulations, allow structure identification. If icosahedra are systematically detected at the first growth stages at RT, annealing at 500 degrees C yields the decahedral structure from the quasistatic coalescence of icosahedral morphology. Meanwhile, growth at 500 degrees C proceeds by a dynamical coalescence mechanism at the early stage, yielding truncated octahedral cubic structures.     

Controlled synthesis, characterization and optical properties of CdS nanocrystalline thin films via chemical bath deposition (CBD) route

In this study, the CdS nanocrystalline thin films obtained from an ammonia-free chemical bath deposition process. The crystallites with a size range of 10–20 nm in diameter with zinc blend (cubic) and wurtzite (hexagonal) crystal structure and strong photoluminescence were prepared from the mixture solutions of: cadmium chloride dihydrate as a cadmium source, thiourea as a sulfur source and sodium citrate dihydrate as a complexing agent for cadmium ions. The well-cleaned glass used as a substrate for thin films deposition. The obtained samples were characterized by the techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectra (XPS), atomic force microscopy (AFM) and fluorescence spectroscopy. Also, the effect of two parameters such as pH and temperature of reaction on the synthesis of CdS nanocrystals was studied. Finally, it was found the CdS nanocrystals showed sharp excitation features and strong “band-edge” emission.     

Sizes and fluorescence of cadmium sulfide quantum dots

Cadmium sulfide quantum dots have been synthesized by wet chemical deposition from an aqueous solution. The sizes of the quantum dots determined by dynamic light scattering directly in the colloidal solution and by intermittent-contact atomic force microscopy in the dry sediment agree with each other. It has been found that splitting of the fluorescence peaks of the quantum dots can be affected by the disorder of the atomic structure of cadmium sulfide quantum dots.     

Effect of the size and structure factors on the magnetic susceptibility of nanoparticles of cadmium sulfide

The dependence of the Van Vleck component of the magnetic susceptibility of nanostructured cadmium sulfide CdS on the geometry and structure of CdS nanoparticles has been established by analyzing the data obtained from diffraction and magnetic measurements. It has been found that a decrease in the size of wurtzite CdS nanoparticles leads to an increase in the degree of distortion of the sp ³ orbitals (i.e., the degree of covalence), which reaches a limiting value for elongated particles with an average size of 9 nm. In particles with smaller sizes, the character of the orbital distortion sharply changes, and the Van Vleck contribution returns to the value typical of coarse-grained CdS. Nanoparticles less than 9 nm in size have a specific disordered close-packed structure and a centrosymmetric shape. The data obtained have made it possible to understand the reason of the dimensional phase transition from the crystalline state to a specific nanostate of cadmium sulfide.     

Synthesis and crystal structure of bis(di-n-butyldithiocarbamato)(1,10-phenanthroline)cadmium(II)

A new mixed-ligand complex, Cd(S₂CN(C₄H₉)₂)₂Phen, is synthesized and investigated by thermal, element, and IR analyses and by diffractometry of polycrystals (DRON-3M, CuK_α radiation, Ni filter). The crystal structure was determined on a CAD-4 Enraf-Nonius automatic diffractometer (MoK_α radiation, θ from 1.5 to 25?, 2325 nonzero independent reflections, 190 refined parameters, R = 0.036 for I > 2Σ(I)). Crystal data for C₃₀H₄₄CdN₄S₄ : a = 15.592(3), b = 22.724(5), c = 9.922(2) å, space group Pbcn, V = 3515.5(12) å₃, Z = 4, M = 701.33, d_calc = 1.325 g/cm³. The structure involves monomeric molecules in which the cadmium atom has a distorted octahedral environment.     

Positron annihilation study for cadmium (electronic structure and enhancement effect)

The three dimensional electron density in momentum space ρ(p) and in wave vector space n(k) was reconstructed for cadmium (Cd). The measurements were performed using the two dimensional angular correlation of annihilation radiation (2D-ACAR) technique. Enhanced contributions in the spectra were observed around 5.5 mrad, discussed in terms of a Kahana-like enhancement effect. From another viewpoint, Fermi radii were analyzed in the (λM K), (ALM) and (AHK) planes, and they showed a maximum deviation of about 4% from the free electron Fermi radius. Moreover, comparisons to a radio-frequency size effect (RFSE) experiment and theoretical band structure calculations (using augmented plane wave (APW), linear combination of atomic orbital (LCAO) and linear muffin tin orbital (LMTO) methods) were examined. The results showed a qualitative agreement with both APW and LCAO calculations. However, a favorable agreement with the APW method was determined via Fermi surface dimensions. The differences of bands' occupation of n(k) between the current work and the APW method were argued in view of positron wave function in Cd.     

First-principle study of phase stability,electronic structure and thermodynamic properties of cadmium sulfide under high pressure

By employing first principle and a quasi-harmonic Debye model, we study the phase stability, phase transition, electronic structure and thermodynamic properties of cadmium sulfide (CdS). The results indicate that CdS is a typical ionic crystal and that the zinc-blende phase in CdS is thermodynamically unstable. Moreover, the heat capacity of the wurtzite and rocksalt phases of CdS decreases with pressure and increases with temperature, obeying the rule of the Debye T³ law at low temperature and the Dulong–Petit limit at high temperature.