The effect of composition on structural and electronic properties in polycrystalline CuGaSe2 thin film

Polycrystalline CuGaSe2 thin films on Mo-coated soda-lime glass substrates have been synthesized by coevaporation process from Cu, Ga and Se sources. Structural and electrical properties of the as-grown CuGaSe2 films strongly depend on the film composition. Stoichiometric CuGaSe2 is fabricated, as indicated by x-ray diffraction spectroscope （XRD） and x-ray fluorescence （XRF）. A two-phase region is composed of CuGaSe2 and Cu2-xSe phases for Cu-rich films, and CuGaSe2 and CuGa3Se5 phases for Ga-rich films, respectively. Morphological properties are detected by scanning electron microscope （SEM） for various compositional films, the grain sizes of the CuGaSe2films decrease with the extent of deviation from stoichiometric composition. Raman spectroscopy of Cu-rich samples shows that there exist large Cu-Se particles on the film surface. The results from Hall effect measurements for typical samples indicate that CuGaSe2 films are always of p-type semiconductor from Cu-rich to Ga-rich. Stoichiometric CuGaSe2 films exhibit relatively large mobility than any other compositional films. Finally, polycrystalline CuGaSe2 thin film solar cell with a best conversion efficiency of 6.02% has been achieved under the standard air mass （AM）1.5 spectrum for 100mW/cm^2 at room temperature （aperture area, 0.24cm^2）. The open circuit voltage of the CuGaSe2 solar cells is close to770 mV.     

Preparation and modification of VO_2 thin film on R-sapphire substrate by rapid thermal process

The VO2 thin film with high performance of metal-insulator transition （MIT） is prepared on R-sapphire substrate for the first time by magnetron sputtering with rapid thermal process （RTP）. The electrical characteristic and THz transmittance of MIT in VO2 film are studied by four-point probe method and THz time domain spectrum （THz-TDS）. X-ray diffraction （XRD）, X-ray photoelectron spectroscopy （XPS）, atomic force microscopy （AFM）, and search engine marketing （SEM） are employed to analyze the crystalline structure, valence state, surface morphology of the film. Results indicate that the properties of VO2 film which is oxidized from the metal vanadium film in oxygen atmosphere are improved with a follow- up RTP modification in nitrogen atmosphere. The crystallization and components of VO2 film are improved and the film becomes compact and uniform. A better phase transition performance is shown that the resistance changes nearly 3 orders of magnitude with a 2-~C hysteresis width and the THz transmittances are reduced by 64% and 60% in thermal and optical excitation respectively.     

Analytical prediction of forced convective heat transfer of fluids embedded with nanostructured materials (nanofluids)

Nanofluids are a new class of heat transfer fluids developed by suspending nanosized solid particles in liquids. Larger thermal conductivity of solid particles compared to the base fluid such as water, ethylene glycol, engine oil etc. significantly enhances their thermal properties. Several phenomenological models have been proposed to explain the anomalous heat transfer enhancement in nanofluids. This paper presents a systematic literature survey to exploit the characteristics of nanofluids, viz., thermal conductivity, specific heat and other thermal properties. An empirical correlation for the thermal conductivity of Al₂O₃ + water and Cu + water nanofluids, considering the effects of temperature, volume fraction and size of the nanoparticle is developed and presented. A correlation for the evaluation of Nusselt number is also developed and presented and compared in graphical form. This enhanced thermophysical and heat transfer characteristics make fluids embedded with nanomaterials as excellent candidates for future applications.      

Preparation of CuIn(S,Se)2 thin films by thermal crystallization in sulfur and selenium atmosphere

Thin films of CuIn(S,Se)₂ were prepared by thermal crystallization process for photovoltaic device applications and their properties were investigated. From EPMA analysis, S/(S+Se) atomic ratio in the thin films was changed from 0.18 to 1.0 with increasing the S/(S+Se) vapor ratio in the quartz ampoule. X-ray diffraction studies revealed that the thin films had a chalcopyrite CuIn(S,Se)₂ structure and the preferred orientation to the 112 plane. The SEM images showed that the grain sizes in CuIn(S,Se)₂ thin films decreased with the increase in the S/(S+Se) atomic ratio.     

In-situ growth of a CdS window layer by vacuum thermal evaporation for CIGS thin film solar cell applications

Highly crystalline and transparent CdS films are grown by utilizing the vacuum thermal evaporation （VTE） method. The structural, surface morphological, and optical properties of the films are studied and compared with those prepared by chemical bath deposition （CBD）. It is found that the films deposited at a high substrate temperature （200 ℃） have a preferential orientation along （002） which is consistent with CBD-grown films. Absorption spectra reveal that the films are highly transparent and the optical band gap values are found to be in a range of 2.44 eV-2.56 eV. Culnl_xGaxSe2 （CIGS） solar cells with in-situ VTE-grown CdS films exhibit higher values of Voc together with smaller values of Jsc than those from CBD. Eventually the conversion efficiency and fill factor become slightly better than those from the CBD method. Our work suggests that the in-situ thermal evaporation method can be a competitive alternative to the CBD method, particularly in the physical- and vacuum-based CIGS technology.     

Cerium oxide nanoparticles protect primary mouse bone marrow stromal cells from apoptosis induced by oxidative stress

The sintering of a silver (Ag) nanoparticle film by laser beam irradiation was studied using a CW DPSS laser. The laser sintering of the Ag nanoparticle thin film gave a transparent conductive film with a thickness of ca. 10 nm, whereas a thin film sintered by conventional heat treatment using an electronic furnace was an insulator because of the formation of isolated silver grains during the slow heating process. The laser sintering of the Ag nanoparticle thin film gave a unique conductive network structure due to the rapid heating and quenching process caused by laser beam scanning. The influences of the laser sintering conditions such as laser scan speed on the conductivity and the transparency were studied. With the increase of scan speed from 0.50 to 5.00 mm/s, the surface resistivity remarkably decreased from 4.45 × 10⁸ to 6.30 Ω/sq. The addition of copper (Cu) nanoparticles to silver thin film was also studied to improve the homogeneity of the film and the conductivity due to the interaction between the oxidized surface of Cu nanoparticle and a glass substrate. By adding 5 wt% Cu nanoparticles to the Ag thin film, the surface resistivity improved to 2.40 Ω/sq.     

Electrical and optical properties of Sb-doped ZnO thin films synthesized by sol–gel method

Sb-doped ZnO thin films with different values of Sb content （from 0 to 1.1 at.%） are deposited by the sol-gel dip- coating method under different sol concentrations. The effects of Sb-doping content, sol concentration, and annealing ambient on the structural, optical, and electrical properties of ZnO films are investigated. The results of the X-ray diffraction and ultraviolet-visible spectroscopy （UV-VIS） spectrophotometer indicate that each of all the films retains the wurtzite ZnO structure and possesses a preferred orientation along the c axis, with high transmittance （〉 90%） in the visible range. The Hall effect measurements show that the vacuum annealed thin films synthesized in the sol concentration of 0.75 mol/L each have an adjustable n-type electrical conductivity by varying Sb-doping density, and the photoluminescence （PL） spectra revealed that the defect emission （around 450 nm） is predominant. However, the thin films prepared by the sol with a concentration of 0.25 mol/L, despite their poor conductivity, have priority in ultraviolet emission, and the PL peak position shows first a blue-shift and then a red-shift with the increase of the Sb doping content.     

Fabrication of polyaniline/ heterojunction structure using plasma enhanced polymerization technique

The work reports on the fabrication of a p–n heterojunction structure comprised of polyaniline (PANI) and TiO₂ nanoparticles. PANI was deposited by plasma enhanced polymerization on TiO₂ thin film substrates. The structural and the crystalline properties demonstrated the coherence and the substantive interaction of the plasma polymerized PANI molecules with the TiO₂ nanoparticle thin film. The UV–Vis studies of PANI/TiO₂ thin film supported the internalization of PANI with TiO₂ nanoparticles due to π–π^* transition of the phenyl rings with the lone pair electrons () of the nitrogen atom present in the PANI molecules. The I–V characteristics of the PANI/TiO₂ heterojunction structure were obtained in the forward and the reverse biased at applied voltage ranging from −1 V to +1 V with a scan rate of 2 mV/s. The proficient current in the PANI/TiO₂ heterojunction structure was attributed to the well penetration of PANI molecules into the pores of the TiO₂ nanoparticle thin film. The I–V characteristics ensured an efficient charge movement at the junction of PANI/TiO₂ interface and thus, behaved as a typical ohmic system.     

聚酰亚胺/铜纳米颗粒复合物的分子动力学模拟研究

通过分子动力学模拟对聚酰亚胺/铜纳米颗粒复合物的形态结构、 热力学性质、力学特性进行计算, 分析其随模拟温度和纳米颗粒尺寸的变化规律. 模拟结果表明, 聚酰亚胺/铜纳米颗粒复合物为各向同性的无定形态结构, 铜纳米颗粒与聚酰亚胺基体之间通过较强的范德华作用结合在一起使结构更加稳定, 铜纳米颗粒表面多个原子层呈现无定形状态, 在铜颗粒和聚酰亚胺基体之间形成界面层, 界面区域随颗粒尺寸和温度的增加分别减小和增加. 聚酰亚胺/铜纳米颗粒复合物的等容热容随着颗粒尺寸增大而明显增高, 随温度变化比聚酰亚胺体系更为缓慢, 在较低温度下较小颗粒尺寸复合物的热容比聚酰亚胺体系更低. 聚酰亚胺/铜纳米颗粒复合物的热压力系数随颗粒尺寸增加而显著增大, 比聚酰亚胺体系的热压力系数更小, 且随温度升高而减小的程度要小得多. 聚酰亚胺/铜纳米颗粒复合物的热力学性质表现出明显的尺度效应, 温度稳定性明显高于聚酰亚胺体系. 聚酰亚胺/铜纳米颗粒复合物的力学特性表现出各向同性材料的弹性常数张量, 具有比聚酰亚胺体系更低的杨氏模量和泊松比, 随温度升高分别减小和增大, 与聚酰亚胺体系随温度的变化趋势相反, 且杨氏模量的温度稳定性显著提高, 同时泊松比随纳米颗粒尺寸增大而减小, 具有明显的尺度效应. 加入铜纳米颗粒形成复合物可获得与聚酰亚胺体系显著不同的力学新特性. 关键词： 分子动力学模拟 聚合物纳米复合物 聚酰亚胺 纳米颗粒     

Structure and electrical and transport properties of cation-deficient samples of perovskite ferrocuprates <Emphasis Type="Italic">R</Emphasis>BaCuFeO<Subscript>5 + δ</Subscript> (<Emphasis Type="Italic">R</Emphasis> = Y,La)

The structure, thermal expansion, and electrical properties of cation-deficient ferrocuprates RBaCuFeO_{5 + δ} (R = Y, La), which are p-type semiconductors, are investigated. The linear thermal expansion coefficient of the yttrium-barium ferrocuprate decreases upon formation of vacancies in the A sublattice (Y, Ba), while the unit cell parameters remain practically unchanged upon the formation of vacancies in different sublattices (Y, Ba, Cu/Fe) of the crystal structure. From analyzing the results of the thermopower measurements, it is assumed that the YBaCuFeO_{5 + δ} ferrocuprate is actually a “nanocomposite” consisting of nanoregions of the Y₂Cu₂O₅ and BaFeO_{3 ? δ} phases. The lanthanum deficiency brings about an increase in the LaBaCuFeO_{5 + δ} unit cell while leaving very nearly unaffected its linear thermal expansion coefficient and electrical properties. The formation of cation vacancies in extended [Ba(Cu,Fe)₂O₅] blocks of the LaBaCuFeO_{5 + δ} phase gives rise to tetragonal distortion of its cubic structure, a decrease in the linear thermal expansion coefficient, and an increase in the electrical resistivity of the samples, the latter resulting primarily from an increase in the carrier transport energy in (Cu,Fe)O₂ layers of LaBaCuFeO_{5 + δ}.     

Phase shift of polarized light through sculptured thin films: Experimental measurements and theoretical study

A slanted columnar TiO2 sculptured anisotropic thin film （ATF） is prepared via the glancing angle deposition technique and used as the phase retardation plate. The tilted nanocolumn microstructures of thin film induce the optical anisotropy. With the biaxial birefringent model, the optical constants dispersion equations of TiO2 ATF are derived by fitting the transmittance spectra for s-and p-polarized waves measured at normal and oblique incidence within 400 nm–1200 nm. The phase shift of polarized light after reflection and/or transmission through the TiO2 ATF is analyzed with the characteristic matrix employing the extracted structure parameters. The theoretical studies reasonably well accord with the experimental results measured with spectroscopic ellipsometry. In addition, the dependences of the phase shift on the coating physical thickness and oblique incidence angle are also discussed. Birefringence of the biaxial ATF provides a sophisticated phase modulation by varying incidence angles over a broad range to have a wide-angle phase shift.     

Molecular dynamics simulation of effect of liquid layering around the nanoparticle on the enhanced thermal conductivity of nanofluids

The effect of the molecular layering at liquid–solid interface on the thermal conductivity of the nanofluid is investigated by an equilibrium molecular dynamics simulation. By tracking the position of the nanoparticle and the liquid atoms around the spherical nanoparticle, it was found that a thin layer of liquid is formed at the interface between the nanoparticle and liquid; this thin layer will move with the Brownian motion of the nanoparticle. Through the analysis of the density distribution of the liquid near the nanoparticle, it is found that more argon atoms are attracted to form the layer around the nanoparticle when the diameter of the nanoparticle is larger, and therefore lead to the more significant enhancement of the thermal conductivity of the nanofluid.     

Anisotropic field dependence of the magnetic transition in Cu2Te2O5Br2

In this paper, we present the results of measurements of the thermal conductivity of Cu2Te2O5Br2, a compound where tetrahedra of Cu2+ ions carrying S=1/2 spins form chains along the c-axis of the tetragonal crystal structure. The thermal conductivity was measured along both the c- and the a-direction as a function of temperature between 3 and 300 K and in external magnetic fields H up to 69 kOe, oriented both parallel and perpendicular to the c-axis. Distinct features of (T) were observed in the vicinity of TN=11.4 K in zero magnetic field. These features are unaltered in external fields which are parallel to the c-axis, but are more pronounced when a field is applied perpendicularly to the c-axis. The transition temperature increases upon enhancing the external field, but only if the field is oriented along the a-axis.     

退火温度对Cu:ZnO薄膜绿光发射的影响

利用溶胶-凝胶法在Si衬底上制备了不同退火温度的Cu:ZnO薄膜.利用X射线衍射(XRD)、X射线光电子能谱(XPS)、扫描电子显微镜和光致发光谱研究了样品的晶格结构、表面形貌、成分及其发光特性.结果表明:所有样品均具有高度的c轴择优取向,随着退火温度的升高,样品的结晶质量变好,样品的表面都被晶粒覆盖,强而稳定的绿光发射被观察到.绿光强度随退火温度的升高先增加后减小,发光中心位置不随退火温度的变化而改变,这样的绿光发射强而稳定.XRD和XPS结果表明,随退火温度的升高Cu2+还原为Cu+,导致Cu:ZnO薄膜形成的缺陷是VZn,所以绿光发射是由VZn引起的.Cu2+还原为Cu+时,Cu:ZnO薄膜中VZn浓度增加,使绿光发射强度增大.当退火温度超过800?C时,Cu2+的还原能力变差,绿光发射强度减弱.     

Lu~(3+)掺杂对CdO陶瓷电、热输运性能的影响

利用传统固相烧结法制备了Cd1-xLuxO(x=0%,0.1%,0.5%,0.75%,1.0%,1.25%,1.5%,2%)陶瓷样品并研究了Lu3+掺杂对其电、热输运性能的影响.随着Lu3+掺杂浓度的增大,Cd1-xLuxO样品的室温载流子浓度持续增大而其迁移率表现出先增大后减小的趋势.在300—1000 K测试温度区间内,Cd1-xLuxO的电导率表现出金属电导行为且其电导率和热导率均随着Lu3+掺杂浓度的增大而升高;塞贝克系数在整个测试区间内均为负值,其随温度和载流子浓度的变化关系可用自由电子模型描述.     

Thermal conductivity enhancement in Cu/diamond composites with surface-roughened diamonds

Cu/diamond composites have potential as a heat spreading material in small-scale devices. In this study, we show that the use of surface-roughened diamonds obtained by heat treatment under N₂ atmosphere and subsequently coated with a thin layer of Ti coating is a feasible method to effectively improve the interfacial bonding and thermal conductivity of Cu/diamond composites. The diamond surface state and prepared composites were investigated by the combination of X-ray diffraction, Raman spectroscopy and microstructure analysis. It is found that the surface-roughened diamonds are in favor of the formation of effective chemical bonds between diamonds and Ti coating through the formation of thin TiC layer and simultaneously provide increased Cu/diamond contact area, which are beneficial to largely decrease the interfacial thermal resistance and thus to greatly enhance the thermal conductivity of Cu/diamond composites.     

DNA介导复合膜中[Ru(bpy)3]2+与Cu(Ⅱ)间光诱导电子转移

由于DNA与[Ru(bpy)₃]2+(bpy=2,2′-联吡啶)及Cu2+间的静电作用,用自铸膜法在铟锡氧化物(ITO)上制备了橙红色[Ru(bpy)₃]2+-DNA-Cu2+复合膜,并应用稳态和暂态荧光光谱、紫外可见光谱、荧光显微镜和扫描电镜对复合膜进行了表征和DNA介导的光诱导电子转移(PET)研究。结果表明,[Ru(bpy)₃]2+-DNA-Cu2+复合膜(摩尔比为10∶20∶1)呈现了明显的吸收特征峰(450 nm)和发射峰(λ_em=595 nm),发光呈单指数衰减,发光寿命为188.6 ns,Cu2+通过DNA介导PET机制猝灭[Ru(bpy)₃]2+发光,猝灭常数为6.94×103 L·mol-1,猝灭速率常数为3.80×1010 L·mol-1·s-1;复合膜中Cu2+摩尔比(10倍)的增大使发射峰蓝移了11 nm,吸收和发射强度衰减至消失,Cu2+通过静态猝灭机制削弱[Ru(bpy)₃]2+发光。此外,对比于溶液和复合膜中Cu2+对[Ru(bpy)₂(tatp)]2+-DNA(tatp=1,4,8,9-四氮三苯)的发光调控,Cu2+仅能因静电作用猝灭复合膜中[Ru(bpy)₃]2+的发光。     

激光烧蚀Al热原子与CF4反应中C2的形成及其发光光谱研究

脉冲激光烧蚀金属平面铝靶产生的热原子与气相CF4碰撞反应中，在400—600nm之间观测到激发态C2分子的发光光谱，它们可归属为Swan带的d3Πg-a3Πu跃迁中Δv＝２，1，0，-1，-2五个振动序列（v'≤6）.光谱强度分析表明，C2激发态的振动温度达6340K左右.与激光烧蚀Al＋O2反应生成AlO的实验结果以及激光烧蚀Cu＋CF4的光谱比较，对比Al(2P1/2-2S1/2,3944nm）和C2的d—a跃迁（0—0）带带头（5165nm)的飞行时间轮廓，认为激发态的Al(2S1/2)原子通过 关键词： 激光烧蚀 发光光谱 C2分子     

Thermal properties of high-k Hf1-xSixO2

Classical atomistic simulations based on the lattice dynalnics theory and the Born core-shell model are performed to systematically study the crystal structure and thermal properties of high-k Hfl-xSixO2. The coefficients of thermal expansion, specific heat, Griineisen parameters, phonon densities of states and Debye temperatures are calculated at different temperatures and for different Si-doping concentrations. With the increase of the Si-doping concentration, the lattice constant decreases. At the same time, both the coefficient of thermal expansion and the specific heat at a constant volume of Hf1-mSixO2 also decreases. The Griineisen parameter is about 0.95 at temperatures less than 100 K. Compared with Si-doped HfO2, pure HfO2 has a higher Debye temperature when the temperature is less than 25 K, while it has lower Debye temperature when the temperature is higher than 50 K. Some simulation results fit well with the experimental data. We expect that our results will be helpful for understanding the local lattice structure and thermal properties of Hf1-mSixO2.     

Photothermal and micro-thermal characterization of metal coated diamond crystallites

Photoacoustic effect and scanning near field microscopy have been applied to characterise the thermal properties of diamond crystallites which were coated by a Cu film, a Cr-film and a Cr-Cu film. The Cu-coated diamond exhibits a considerable thermal barrier at the Cu-diamond interface which had disappeared for the crystallites with a thin bond Cr-layer between diamond and Cu. The local inspection of the thermal conductivity with a thermal nano-probe operated in the 3ω-mode reveals slight local variations of the thermal conductivity of the Cr-coated crystallite.