Study on the n-β-FeSi2/p-Si solar cells under different illuminated directions

The n-β-FeSi₂/p-Si heterojunction solar cells can be used under illumination of β-FeSi₂ side or Si side. In this work, the effects of illuminated direction on the photovoltaic properties of n-β-FeSi₂/p-Si heterojunction solar cells were analyzed by numerical methods. The calculated results show that the n-β-FeSi₂/p-Si heterojunction solar cell under illumination of β-FeSi₂ side has superior photovoltaic properties, which is consisting with the experimental reports. For the illumination of Si side, the photo-generated carriers in the back surface of Si substrate are far from the built-in electric field, resulting in the reduced conversion efficiency. The calculated results indicate that we should choose the illumination of β-FeSi₂ side for n-β-FeSi₂/p-Si heterojunction solar cell application.     

Nanostructured TiO<Subscript>2</Subscript> Films with a Mixed Phase for Perovskite Solar Cells

A series of thin films made with TiO₂ nanoparticles with a varied anatase/rutile phase ratio is prepared on conducting glass substrates using a spin-coating method. The structure, morphology, and optical properties of TiO₂ nanopowders and thin films fabricated are studied using powder X-ray diffraction, scanning electron microscopy, and optical spectroscopy. The TiO₂ nanostructured films created are used as photoelectrodes for the fabrication of perovskite solar cells (PSCs). The photovoltaic characteristics of PSCs under AM1.5 light illumination (1000 W/m²) under ambient conditions are studied. It is shown that the best efficiency of solar-to-electrical energy conversion, namely, 9.3%, is obtained for the PSC with a photoelectrode based on a TiO₂ film with an anatase/rutile mixed phase ratio of 86/14%.     

Improved photovoltaic properties of a-Si/β-FeSi2/c-Si double heterojunction by Al-doping

Al-doped β-FeSi₂ thin film was sputtered on Si substrate and then applied to the amorphous-Si/β-FeSi₂/crystalline-Si (a-Si/β-FeSi₂/c-Si) double heterojunction. The X-ray diffraction result confirmed the formation of β-FeSi₂ crystallization. The result of carrier lifetime measurement implied that Al-doping could improve the carrier lifetime and infrared response property of β-FeSi₂ thin film. Such improvements were ascribed to the reduction of Si vacancy density by Al atom occupation. Based on the improved Al-doped β-FeSi₂ thin film, the prepared a-Si/β-FeSi₂/c-Si double heterojunction exhibited prominent enhancements in open-circuit voltage, short-circuit current density, fill factor, and energy conversion efficiency than that of the un-doped β-FeSi₂ double heterojunction. These results reveal an attractive way to improve the photovoltaic property of a-Si/β-FeSi₂/c-Si double heterojunction using Al-doped β-FeSi₂ thin film.     

Deep level states and negative photoconductivity in n-ZnO/p-Si hetero-junction diodes

Negative photoconductivity (NPC) was observed in n-ZnO/p-Si heterojunction diode grown by ultra-high vacuum sputtering method under nitrogen ambient. Under the illumination of ultra-violet light, positive photoconductivity was observed at low bias voltages, whereas NPC was observed at high bias voltages. The defect states in the ZnO layers grown on Si were analyzed by photoluminescence and deep level transient spectroscopy measurements. Two deep levels were measured at E_c-0.51 eV and E_c-0.54 eV, which might be originated from oxygen vacancy and nitrogen atom related defects, respectively. Based on the simulation of band diagram, the defect states were located below Fermi level at zero bias voltage. However, as increasing the bias voltages, NPC was observed due to the increase of empty defect states. This analysis allowed us to consider the possibility that the NPC phenomenon in n-ZnO/p-Si heterojunction diode is originated dominantly from the defect states as a carrier recombination center in ZnO layer.     

Raman study of phase transformation of TiO2 rutile single crystal irradiated by infrared femtosecond laser

Titanium dioxide (TiO₂) rutile single crystal was irradiated by infrared femtosecond (fs) laser pulses with repetition rate of 250 kHz and phase transformation of rutile TiO₂ was observed. Micro-Raman spectra show that the intensity of E_g Raman vibrating mode of rutile phase increases and that of A_1g Raman vibrating mode decreases apparently within the ablation crater after fs laser irradiation. With increasing of irradiation time, the Raman vibrating modes of anatase phase emerged. Rutile phase of TiO₂ single crystal is partly transformed into anatase phase. The anatase phase content transformed from rutile phase increased to a constant with increasing of fs pulse laser irradiation time. The study indicates the more stable rutile phase is transformed into anatase phase by the high pressure produced by fs pulse laser irradiation.     

Carrier transport and photoresponse for heterojunction diodes based on the reduced graphene oxide-based TiO2 composite and p-type Si

The present work reports the fabrication and detailed electrical properties of heterojunction diodes based on p-type Si and the reduced graphene oxide-based TiO₂ (TiO₂:RGO) composite. The enhanced dark conductivity was observed for TiO₂:RGO composite films. The improved electrical conductivity is considered to mainly come from the mobility enhancement. The TiO₂/p-type Si diode shows a poor rectifying behavior and low photoresponse. This is because of the dominance of electron traps in TiO₂. However, the TiO₂:RGO/p-type Si diode shows a good rectifying behavior and high photoresponse, which is attributed to high-mobility electron transport combined with the reduced number of electron traps.     

Oxygen defect dependent variation of band gap,Urbach energy and luminescence property of anatase,anatase–rutile mixed phase and of rutile phases of TiO2 nanoparticles

TiO₂ nanoparticles are prepared by a sol–gel method and annealed both in air and vacuum at different temperatures to obtain anatase, anatase–rutile mixed phase and rutile TiO₂ nanoparticles. The phase conversion from anatase to anatase–rutile mixed phase and to rutile phase takes place via interface nucleation between adjoint anatase nanocrystallites and annealing temperature and defects take the initiate in this phase transformation. The samples are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), UV–vis and photoluminescence spectroscopy (PL). Anatase TiO₂ exhibits a defect related absorption hump in the visible region, which is otherwise absent in the air annealed samples. The Urbach energy is very high in the vacuum annealed and in the anatase–rutile mixed phase TiO₂. Vacuum annealed anatase TiO₂ has the lowest emission intensity, whereas an intense emission is seen in its air annealed counterpart. The oxygen vacancies in the vacuum annealed samples act as non-radiative recombination centers and quench the emission intensity. Oxygen deficient anatase TiO₂ has the longest carrier lifetime. Time resolved spectroscopy measurement shows that the oxygen vacancies act as efficient trap centers of electrons and reduce the recombination time of the charge carriers.     

Structural investigations of TiO2:Tb thin films by X-ray diffraction and atomic force microscopy

In this work, structural investigations of TiO₂ thin films doped with Tb at the amount of 0.4, 2 and 2.6 at.% have been outlined. Thin films were deposited on Si and SiO₂ substrates by high energy reactive magnetron sputtering from mosaic Ti-Tb target. The influence of Tb dopant amount, post-annealing treatment and kind of applied substrate on microstructure has been discussed. Thin films were investigated by means of X-ray diffraction (XRD) and atomic force microscopy (AFM). XRD analysis revealed the existence of crystalline TiO₂ in anatase and rutile forms, depending on Tb amount in examined samples. AFM images show that as-deposited samples with 0.4 at.% concentration of terbium (anatase structure) have bigger crystallites as compared to 2% and 2.6 at.% of Tb (rutile structure). The additional annealing at 1070 K results in a mixed anatase (77%) and rutile (23%) structure.     

Maintaining particle size in the transformation of anatase to rutile titania nanostructures

We study the temperature-dependent transformation of two distinctly synthesized TiO₂ nanoparticles from the anatase to the rutile phase. These studies are carried out over the temperature range extending from room temperature to an excess of 800 °C where the anatase to rutile conversion is found to occur. Results obtained for both a sol-gel-generated nanocolloid (3-20 nm) and a sol-gel-generated micelle nanostructure (∼40 nm) are evaluated. While the TiO₂ nanocolloid structures aggregate to form larger crystallites as a function of increasing temperature with sizes comparable to the sol-gel-generated micelle structures, the resulting anatase crystallites, which are of a diameter 40-50 nm, appear to transform to comparable or slightly smaller rutile structures at 800 °C. This is in contrast to the transformation to larger rutile structures, observed for larger anatase particles. The importance of kinetic effects is considered as it enhances the rate of anatase to rutile conversion. These characteristics are established using a combination of Raman spectroscopic, X-ray diffraction, and scanning electron microscopy. The relative playoffs of the Raman and X-ray diffraction techniques are considered as they are used for the analysis of particles at the nanoscale, especially when phase transformations are evaluated.     

Structural characterizations of sol–gel synthesized TiO2 and Ce/TiO2 nanostructures

Mixed phase TiO₂ and Ce/TiO₂ samples were synthesized by a sol–gel method using different hydrolysis conditions. In pure TiO₂ samples, traditional X-ray diffraction (XRD) and Ti K-edge synchrotron X-ray absorption near edge structures (XANES) independently revealed their anatase/rutile phase ratios. XANES results further revealed a substantial amount of Ti atoms existed in other forms beside anatase and rutile TiO₂ in the sample synthesized by the low hydrolysis condition. An increase in the extent of the hydrolysis during the synthesis leads to an increased rutile ratio and a reduction in other forms. In Ce/TiO₂ samples, the crystal sizes were too small for XRD characterization. Only XANES could be used to characterize their phase ratios. It is found that adding Ce impedes rutile formation; leading to increased anatase ratio. The difference in the fundamental aspects of XRD and XANES techniques in providing the phase ratios is discussed.     

Role of sweep direction and substrate work function on resistive switching of titanium-di-oxide [TiO2] nanoparticles

The resistive switching mechanism in titanium-dioxide nanoparticles (TiO₂ NP) is studied using the current-voltage (I–V) measurements. The TiO₂ NP are spin-coated on different substrates like FTO, ITO, Gold, and p-Silicon. The I–V measurements are carried out by changing the initial potential of the substrates to either 0 V (sweep1) or −1 V (sweep2). Resistive switching (RS) was observed only for FTO/TiO₂ NP and ITO/TiO₂NP devices in sweep1 direction. Whereas, in sweep2 direction, no such RS was observed in any of the devices. The detailed I–V analysis infers the Ohmic conduction followed by space charge limited conduction (SCLC) during the RS forming process for FTO/TiO₂ NP and ITO/TiO₂NP devices. The Au and p-Si substrates act as blocking contact for TiO₂ and exhibit Schottky/thermionic emission at lower voltages and SCLC at higher voltages. The TiO₂ NP coated on p-Si substrate exhibits rectifying behaviour with a current ratio of 3 orders of magnitude.     

Effect of crystalline structure of TiO2 substrates on initial growth of atomic layer deposited Ru thin films

Ru thin films were grown on polymorphic TiO₂ thin film substrates at 230 and 250 °C by atomic layer deposition using 2,4-(dimethylpentadienyl)(ethylcyclopentadienyl)Ru and an O₂ gas. While the Ru films grown on amorphous and rutile TiO₂ substrates showed a relatively long incubation cycle number of approximately 350 and 100 at 230 and 250 °C, respectively, the Ru films grown on anatase TiO₂ substrates exhibited a significantly shorter incubation delay which was attributed to the catalytic activity of anatase TiO₂. This difference in the incubation cycle affected the surface morphology of the Ru films on different TiO₂ substrates.     

锐钛矿相和金红石相TiO2:Nb的光电性能研究

采用基于密度泛函理论的第一性原理计算了锐钛矿相和金红石相TiO₂:Nb的晶体结构、电子结构和光学性质. 结果表明, 在相等的摩尔掺杂浓度下(6.25%), 锐钛矿相TiO₂:Nb的导带底电子有效质量小于金红石相TiO₂:Nb, 且前者室温载流子浓度是后者的两倍左右, 即具有更大的施主杂质电离率, 从而解释了锐钛矿相TiO₂:Nb比金红石相TiO₂:Nb具有更优异电学性能的实验现象. 光学计算也表明锐钛矿相在可见光区有更大的透过率, 从而在理论上解释了锐钛矿相TiO₂:Nb比金红石相TiO₂:Nb更适于做透明导电材料的原因. 计算结果与实验数据能较好符合. 关键词： 2:Nb')" href="#">TiO₂:Nb 第一性原理 电子结构 光学性能     

Investigation on SERS of different phase structure TiO2 nanoparticles

In this paper, anatase and rutile TiO₂ nanoparticles as well as their mixed crystal phase structure TiO₂ nanoparticles were synthesized by a sol‐hydrothermal method, and were served as active substrates for surface‐enhanced Raman scattering (SERS) study. The results show that the 4‐mercaptobenzoic acid probe molecules exhibit different degree SERS enhancements on the surface of different phase structure TiO₂ nanoparticles. The mixed crystal structure TiO₂ with an appropriate proportion of anatase and rutile phase is favourable to SERS enhancement of adsorbed molecules. These are mainly attributed to the contributions of the TiO₂‐to‐molecule charge transfer mechanism and the mixed crystal effect. Copyright © 2015 John Wiley & Sons, Ltd.     

Adsorption kinetics of alkanes on TiO2 nanotubesarray - structure-activity relationship

Presented are thermal desorption spectroscopy (TDS) measurements of iso-/n-butane adsorption on a variety of TiO₂ nanotubes (TiNTs) samples which are characterized by different crystal structures. The results are compared with a prior study on anatase(0 0 1) thin films grown on SrTiO₃(0 0 1). A distinct kinetic structure-activity relationship was present, i.e., the binding energies of the alkanes depend on the polymorph (anatase vs. mixed anatase/rutile) of TiO₂. A direct-fitting procedure of the TDS data has been applied to extract the kinetics parameters. The binding energies in the limit of zero coverage decrease as anatase thin film > amorphous-TiNTs ∼ polycrystalline anatase TiNTs > polycrystalline mixed anatase/rutile TiNTs.     

Activation energy of hydrogen desorption from high-performance titanium oxide carrier-selective contacts with silicon oxide interlayers

The impact of hydrogen desorption on the electrical properties of TiO_x on crystalline silicon (c-Si) with SiO_y interlayers is studied for the development of high-performance TiO_x carrier-selective contacts. Compared with the TiO_x/c-Si heterocontacts, a lower surface recombination velocity of 9.6 cm/s and lower contact resistivity of 7.1 mΩ cm² are obtained by using SiO_y interlayers formed by mixture (often called SC2). The hydrogen desorption peaks arising from silicon dihydride (α1) and silicon monohydride (α2) on the c-Si surface of the as-deposited samples are observed. The α1 peak pressure of as-deposited heterocontacts with SiO_x interlayers is lower than that of heterocontacts without a SiO_y interlayer. Furthermore, the hydrogen desorption energies are found to be 1.76 and 2.13 eV for the TiO_x/c-Si and TiO_x/SC2-SiO_y/c-Si heterocontacts, respectively. Therefore, the excellent passivation of the TiO_x/SC2-SiO_y/c-Si heterocontacts is ascribed to the relatively high rupture energy of bonding between Si and H atoms.     

Photoelectric properties of ZnO: In nanorods/SiO2/Si heterostructure assembled in aqueous solution

In-doped zinc oxide (ZnO:In) nanorods were grown onto SiO₂/n-Si substrate without catalyst in aqueous solution. The ZnO:In nanorods/SiO₂/n-Si heterostructure photovoltaic device was prepared. The structural and photoelectric properties of the as-grown ZnO:In nanorods were analyzed. ZnO:In nanorods had a strong and broad UV surface photovoltage response in the range of 300–400 nm, and the bands were identified. The photoelectric conversion properties of ZnO:In nanorods/SiO₂/n-Si heterostructure were investigated. ZnO:In/SiO₂/n-Si heterostructure showed a wide range photocurrent spectral response with high intensity in the UV and visible region. The rectifying behavior of this heterostructure was observed. Moreover, the device had a low turn-on voltage and a high breakdown voltage. Current–voltage characteristic was studied for the heterostructure, and the open-circuit voltage and short-circuit current were obtained. PACS 73.40.Lq; 85.35.Be; 81.16.Dn     

Optical properties of anatase and rutile titanium dioxide: Ab initio calculations for pure and anion-doped material

The optical properties of rutile and anatase titanium dioxide (TiO₂) are calculated from the imaginary part of the dielectric function using pseudopotential density functional method within its generalized gradient approximation (GGA) and a scissors approximation. The fundamental absorption edges calculated for the unit cell of both rutile and anatase are consistent with experimentally reported results of single crystal rutile and anatase TiO₂ and with previous theoretical calculations. A significant optical anisotropy is observed in the anatase structure which holds promise for investigating the band gap modification with better visible-light response and provides a reliable foundation for addressing the effect of impurities on the fundamental absorption edge/band gap of anatase TiO₂. Further calculations on the electronic structure and the optical properties of C-, N-, and S-doped anatase TiO₂ are performed. The results are analyzed and discussed in terms of optical anisotropy and scissors approximations.     

The influence of electronic transport across interface junction between Si substrate and the root of ZnO micro-prism on field emission performance

ZnO micro-prisms are prepared on the p-type and n-type Si substrates, separately. The $I$--$V$ curves analysed by AFM show that the interface junctions between the ZnO micro-prisms and the p-type substrate and between the ZnO micro-prisms and the n-type Si substrate exhibit p--n junction behaviour and ohmic contact behaviour, respectively. The formation of the p--n heterojunction and ohmic contact is ascribed to the intrinsic n-type conduction of ZnO material. Better field emission performance (lower onset voltage and larger emission current) is observed from an individual ZnO micro-prism grown on the n-type Si substrate. It is suggested that the n-Si/n-ZnO interfacial ohmic contact benefits the electron emission; while the p-Si/n-ZnO interface heterojunction deteriorates the electron emission.     

Nanocluster n-CdO thin film by sol-gel for solar cell applications

The nanocluster-CdO film was successfully synthesized by sol-gel method using cadmium acetate and 2-metoxyethanol as starting materials and monoethanolamine as a stabilizer. The structural properties of the CdO film were investigated by atomic force microscopy (AFM). AFM results indicate that the CdO film is consisted of nanoclusters with grain size of 75-85 nm. The optical band gap E_g of nanocluster-CdO film was found to be 2.27 eV. The heterostructure, formed from two semiconductor layers having different optical band gaps, p-Si/n-CdO is prepared as a solar cell device. The electrical properties of the device were characterized by current-voltage and capacitance-conductance-voltage methods. The photovoltaic properties of p-Si/n-CdO device have been investigated. The p-Si/n-CdO heterojunction solar cell shows the best values of V_oc = 0.41 and J_sc = 2.19 mA/cm² under AM1.5 illumination. It is evaluated that this work is useful as a basis for the search of nanomaterial CdO and more competitive p-Si/n-CdO based solar cells, despite the fact that V_oc and J_sc are lower than those reported in the literature.