M.Sc. / Techniques for the fabrication of polycrystalline silicon solar cells have advanced in recent years with efficiencies exceeding 17%. The major advantage of polycrystalline silicon is its low cost relative to single-crystalline silicon. The disadvantage is the significantly smaller minoritycarrier bulk diffusion length and inhomogeneous nature of the material. These two drawbacks are due to the presence of grain boundaries as well as high concentrations of dislocations and other physical and chemical defects. In this study the experimental conditions were determined to fabricate solar cells on polycrystalline silicon substrates. The controlled diffusion of phosphorous into silicon and subsequent evaluation of the doped layers (by spreading resistance profiling and chemical staining) were important aspects of this study. From these results the diffusion parameters (i.e. temperature and reaction times) could be optimized in order to improve the solar cell output parameters. Additional material improvement (increase in surface- and bulk minority carrier lifetimes) was demonstrated by the hydrogen passivation of electrically active defects in polycrystalline silicon. However. measurements on hydrogenated silicon samples also indicated that excess passivation can result in surface damage and subsequent reduction in the minority carrier lifetimes. Preliminary solar cells were fabricated on polycrystalline silicon with efficiencies ranging between 0.5 and 6% (total area = 16 cm2).

Une analyse numérique basée sur la méthode des éléments finis permettant de quantifier les coefficients d'atténuation et de diffusion ultrasonores dans un polycristal en domaine temporel et fréquentiel est présentée. En particulier, une méthode originale basée sur le théorème de réciprocité pour l'évaluation numérique du coefficient de diffusion est proposée. Des formules analytiques bidimensionnelles (2D) pour les coefficients d'atténuation ultrasonore et de rétrodiffusion sont développées en utilisant l'approximation de Born pour valider les évaluations numériques. L'approche numérique proposée est appliquée au titanium, un polycristal monophasé et non texturé. Premièrement, des simulations sont effectuées dans des microstructures idéalisées composées de grains en taille unimodale. Une comparaison cohérente entre les évaluations numériques et les prédictions analytiques 2D est obtenue. Par ailleurs, les effets de l'atténuation induite par la diffusion multiple sur la mesure de rétrodiffusion, qui sont négligés par les modèles théoriques, sont quantifiés. Deuxièmement, l'approche numérique proposée est appliquée aux polycristaux composés de grains en taille bimodale. Les résultats numériques indiquent que les coefficients d'atténuation et de rétrodiffusion en domaine fréquentiel se situent au milieu des coefficients pour les microstructures unimodales et sont principalement déterminés par les fractions volumiques des grains constitutifs. Cependant, ils ne sont que légèrement affectés par la répartition des gros grains. Une étude de la fonction d'autocorrélation spatiale dans des telles microstructures bimodales est proposée afin d’obtenir une interprétation analytique des phénomènes expérimentés numériquement. / A numerical approach based on the finite element method to quantify ultrasonic attenuation and grain-noise scattering coefficients in both time and frequency domains for polycrystalline materials is presented. More particularly, an original method based on the reciprocity theorem for the numerical evaluation of the grain-noise scattering coefficient is proposed. Twodimensional (2D) analytical formulas of ultrasonic attenuation and backscattering coefficients are developed by using the Born approximation to validate numerical evaluations. Then the proposed numerical approach is applied to the single-phase and untextured polycrystalline titanium. Firstly, 2D FE simulations are performed in idealized microstructures composed of equiaxed grains with different unimodal grain sizes. Coherent comparison between numerical estimates and 2D analytical predictions is obtained. Effects of attenuation due to multiple scattering on the backscattering measurement, which are neglected in the theoretical model, are quantified. Secondly, polycrystals with bimodal grain sizes are considered. Numerical results indicate that attenuation and backscattering coefficients in bimodal microstructures are inbetween the ones of unimodal microstructures and are mainly determined by volume fractions of the constituent grains. However they are only slightly affected by the grain location distributions. The spatial autocorrelation function in bimodal microstructures is further quantified to gain an analytical interpretation of the above phenomena.

Thin-film solar cells are widely recognised to have the potential to compete with fossil fuels in the electricity market due to their low cost per peak Watt. The Thin-Film Group at the University of New South Wales (UNSW) is engaged in developing polycrystalline silicon (poly-Si) thin-film solar cells on glass using e-beam evaporation technology. We believe our solar cells have the potential of significantly lowering the manufacturing cost compared to conventional, PECVD-fabricated thin-film solar cells. After years of materials research, the focus of the Group??s work is now moving to the metallisation of evaporated solar cells. Minimising various kinds of losses is the main challenge of the cell metallisation procedure, within which the contact resistance is always a big issue. In this thesis, the contact resistance of aluminium contacts on poly-Si thin-film solar cells on glass is investigated. To the best of the author??s knowledge, this is the first ever contact resistance investigation of Al contacts on evaporated poly-Si material for photovoltaic applications. Various transmission line models (TLM) are employed to measure the contact resistance. An improved TLM model is developed to increase the measurement precision and, simultaneously, to simplify the TLM pattern fabrication process. In order to accommodate the particular requirements of poly-Si coated glass substrates, a TLM pattern fabrication process using photolithography is established. Furthermore, a Kelvin sense tester is set up to ensure an accurate measurement of the contact resistance. After establishment of the TLM technique at UNSW, it is successfully tested on singlecrystalline silicon wafer samples. The thermal annealing process of the contacts is also optimised. Then, the general behaviour of Al contacts on uniformly doped poly-Si films (i.e., no p-n junction) is investigated using the verified TLM technique. The long-term stability of the contacts is also studied. This is followed by an investigation of the contact resistance of the back surface field and emitter layers of different types of poly-Si thin-film solar cells. Finally, a novel contact resistance measurement model is proposed that is believed to be able to overcome the measurement bottleneck of the transmission line models.

Titanium dioxide, TiO2, has potential applications as a photoelectrode for photoelectrochemical generation of hydrogen by splitting water using solar energy and as a photocatalyst for water purification. This study is part of the UNSW research program to process TiO2-based oxide semiconductors as high-performance photoelectrodes and photocatalysts. This study investigates the effect of defect disorder on semiconducting properties of polycrystalline TiO2. This study involved the processing of high-purity polycrystalline TiO2 and determination of its semiconducting properties through measurement of electrical conductivity and thermoelectric power at elevated temperatures (1073-1323K) in controlled oxygen activities [1x10-13 Pa < p(O2) < 75 kPa]. The study included two types of experiments: Determination of electrical properties under conditions of gas/solid equilibrium. The data obtained was used to derive defect disorder and related semiconducting properties Monitoring of electrical properties during equilibration. This data was used to determine the chemical diffusion coefficient. The data obtained under equilibrium conditions indicates that oxygen may be used as a dopant to impose controlled semiconducting properties. In reduced conditions TiO2 is an n-type semiconductor and under oxidizing conditions TiO2 is a p-type semiconductor. The n-type behaviour is associated with oxygen vacancies as the predominant defects and titanium interstitials as the minority defects. The p-type behaviour is closely related to titanium vacancies that are formed during prolonged oxidation. Charge transport at elevated temperature was shown to involve substantial contribution from ions. Analysis of electrical properties enabled determination of several defect-related quantities including the activation enthalpy for oxygen vacancy formation, and the activation energy of the electrical conductivity components related to electrons, holes and ions. The kinetic data obtained during gas/solid equilibration enabled determination of the chemical diffusion coefficient which exhibited a complex dependence on nonstoichiometry. In addition, prolonged oxidation showed that equilibration occurred in two kinetic regimes. One for highly mobile oxygen vacancies and titanium interstitials which quickly reached an ??operational equilibrium?? within hours and another slow kinetic regime for equilibration of titanium vacancies over many thousand hours. The determined chemical diffusion coefficient data may be used to select the processing conditions required to impose uniform concentration of defects within a TiO2.

Commercially available polycrystalline Ni (Ni200; grain size: 32 μm) and electrodeposited nanocrystalline Ni (grain size: 57 nm), Ni-2.6%Fe (grain size: 25 nm) and Ni-8.5%Fe (grain size: 20 nm) were analyzed for the phenomena of stress-induced heat generation and strain localization during plastic deformation at room temperature (i.e. 250C). Tensile specimens according to ASTM E8 standard dimensions were tested at strain rates of 10-2/s and 10-1/s, respectively, to record the amount of heat dissipated and the change of localized strain using a high resolution infrared (IR) detector and digital image correlation (DIC) camera, respectively. Results have shown that the maximum temperatures that were recorded in nanocrystalline Ni and Ni-Fe alloys were at least 300C lower than the onset temperatures for subgrain coalescence previously measured through differential scanning calorimetry. It can be concluded that thermally activated grain growth during tensile testing of nanocrystalline Ni and Ni-Fe alloys is not likely to occur.

Commercially available polycrystalline Ni (Ni200; grain size: 32 μm) and electrodeposited nanocrystalline Ni (grain size: 57 nm), Ni-2.6%Fe (grain size: 25 nm) and Ni-8.5%Fe (grain size: 20 nm) were analyzed for the phenomena of stress-induced heat generation and strain localization during plastic deformation at room temperature (i.e. 250C). Tensile specimens according to ASTM E8 standard dimensions were tested at strain rates of 10-2/s and 10-1/s, respectively, to record the amount of heat dissipated and the change of localized strain using a high resolution infrared (IR) detector and digital image correlation (DIC) camera, respectively. Results have shown that the maximum temperatures that were recorded in nanocrystalline Ni and Ni-Fe alloys were at least 300C lower than the onset temperatures for subgrain coalescence previously measured through differential scanning calorimetry. It can be concluded that thermally activated grain growth during tensile testing of nanocrystalline Ni and Ni-Fe alloys is not likely to occur.

The roles of hydrogen induced defects in pure ZnO has been studied extensively. However, in a transition metal, such as Co, doped ZnO thin films the effect of hydrogen in electric conduction and magnetic coupling is still unclear and needs further study. Recently model predicts that hydrogen can be a shallow donor as well as an agent to induce ferromagnetism coupling between two adjacent Co ions which substitute the Zn sites at room temperature in a ZnO sample with a high Co doping ratio. However, the experimental supports is rare. In this study, Co-doped(5%) ZnO films are grown by a RF-magnetron sputtering system on glass substrate at room temperature. The growth condition is fixed for RF power in 200W, working press of 70 mtorr and various mixing ratio of H2/Ar+H2 gas. The crystal structure, electric and optical properties and the influence of vacuum annealing on the samples are studied. In this research, we found that the doping of hydrogen in Co-doped ZnO thin films truly increases the electric conductivity which is proportional to the H2/(Ar+H2) ratio. When the ratio of hydrogen is low, the (002) peak taken by a Glazing Angle X-ray Diffractometer dominates, while increasing hydrogen ratio other diffraction peaks appear, indicating an enhancement of crystal structure in all directions, and grain sizes and unit cell volume decrease. From the optical transmittance measurement, it is found that the color of films turned into metallic like and the optical band gap increases linearly with H2 ratio which can be attributed to the Burstein-Moss effect that corresponds to the increasing of carriers in the conduction band by doping of H2. The transmittance data provides the information of the ratio of crystalline and amorphous, which can also be correlated to the AFM results. When the H2 ratio is higher than 30%, more crystals and larger sizes of grains were formed in the films, such that carriers did not need to pass grain boundaries so frequently and experienced less scattering that was actually improve the electric conductivity. The electric conductivity can be even improved by post annealing in H2 environment. Moreover, the Magnetic circular dichroism (MCD) measurement shows that the Co2+ ions does truly substitute on Zn sited in Td symmetry during thin film deposition. The resistance measurement as a function of temperature found the hydrogenated Co-doped thin films are semiconductor conductive. More works are needed to determine the magnetization, identify second phases and Vo by SQUID and X-ray photoelectron spectroscopy.

Understanding the elastic-plastic response of polycrystalline materials is an extremely difficult task. A polycrystalline material consists of a large number of crystals having different orientations. On its own, each crystal would deform in a specific manner. However, when it is part of a polycrystalline aggregate, the crystal has to ensure compatibility with the aggregate, which causes the response of the crystal to change. Knowing the response of a crystal enables us to view the change in orientation of the crystal when subjected to external macroscopic forces. This ability is useful in predicting the evolution of texture in a material. In addition, by predicting the response of a crystal that is part of a polycrystalline aggregate, we are able to determine the free energy of each crystal. This is useful in studying phenomena like grain growth and diffusion of atoms across high energy grain boundaries. This dissertation starts out by presenting an overview of the elastic and plastic response of single crystals. An attempt is made to incorporate a hardening law which can describe the hardening of slip systems for all FCC materials. The most commonly used theories for relating the response of single crystals to that of polycrystalline aggregates are the Taylor model and the Sachs model. A new theory is presented which attempts to encompass the Taylor as well as the Sachs Model for polycrystalline materials. All of the above features are incorporated into the software program "Crystals".

This dissertation describes the study of organic thin-film solar cells in pursuit of affordable, renewable, and environmentally-friendly energy sources. Particular emphasis is given to the molecular ordering found in liquid crystalline or polycrystalline films as a way to leverage the efficiencies of these types of cells. Maximum efficiencies estimated based on excitonic character of organic solar cells show power conversion efficiencies larger than 10% are possible in principle. However, their performance is often limited due to small exciton diffusion lengths and poor transport properties which may be attributed to the amorphous nature of most organic semiconductors.Discotic liquid crystal (DLC) copper phthalocyanine was investigated as an easily processible building block for solar cells in which ordered molecular arrangements are enabled by a self-organization in its mesophases. An increase in photocurrent and a reduction in series resistance have been observed in a cell which underwent an annealing process. X-ray diffraction (XRD) and atomic force microscopy (AFM) measurements suggest that structural and morphological changes induced after the annealing process are related to these improvements.In an alternative approach, p-type pentacene thin films prepared by physical vapor deposition were incorporated into heterojunction solar cells with C60 as n-type layers. Power conversion efficiencies of 2.7 % under broadband illumination (350-900 nm) with a peak external quantum efficiency of 58 % have been achieved with the broad spectral coverage across the visible spectrum. Analysis using an exciton diffusion model shows this efficient carrier generation is mainly due to the large exciton diffusion length of pentacene films. Joint XRD and AFM studies reveal that the highly crystalline nature of pentacene films can account for the observed large exciton diffusion length. In addition, the electrical characteristics are studied as a function of light intensity using the equivalent circuit model used for inorganic pn-junction solar cells. Dependences of equivalent-circuit parameters on light intensity are further investigated using a modified equivalent circuit model, and their effects on the overall photovoltaic performance are discussed.

Methodology of stress measurements with multireflection grazing incidence method (MGIXD)was investigated and developed. The parallel beam geometry was applied. The incident beam in classicaldiffractometers was collimated by Göbel mirror and the tests of parallel configuration were performed for Alpowder. Results confirmed that both statistical error and the misalignment error can be reduced when theGöbel mirror is used. Physical factors were taken into account in XSA (X-ray stress analysis): Lorentzpolarizationand absorption factor (LPA) and also refraction correction (RC). Results showed that theinfluence of LPA correction is minor in XSA but the RC can significantly influence analysis. In the thesisthe issue of RC was considered and compared with approaches presented in the literature. In the thesistwo theoretical developments of the MGIXD method were presented: the procedure of c/a parameterdetermination and the influence of stacking faults on the results was taken into account. It was shown thatboth developments significantly improves the quality of experimental data analysis. In the present work theproblem of X-ray stress factors (XSF) used for the interpretation of XSA results was studied. Differenttheoretical grain elasto-plastic interaction models were considered and applied in XSA. Verification of theXSF was during tensile test for austenitic stainless steel and for the isotropic sample. Anisotropy of XSFwas also observed in: ground Ni alloy, polished austenitic stainless steel and CrN coating. The resultsshows that Reuss and free surface grain interaction models are in the best agreement with theexperimental results. Finally the MGIXD method was verified using synchrotron radiation and 3 differentwavelengths. The methodology was developed to treat data not only for different incident angles but alsousing simultaneously different wavelengths. Stresses vs. z - 'real depth' was calculated using the inverseLaplace transform applied to polynomial function. Wiliamson-Hall analysis was applied for collected data.Next multireflection method was applied for the energy dispersion diffraction measurements in which whitebeam containing radiation having different wavelengths was used (λ (Ǻ): 0.3-0.18/ E (keV): 40-68). Thestress analysis was performed using three different methods: standard sin2ψ method, Universal plotmethod and by using multireflection analysis. In the range of penetration depth to 0-15 μm theconvergence of the results obtained from different methods was gained. Moreover the synchrotron dataperfectly agree with the results obtained on laboratory diffractometer (Cu Kα radiation) close to the surface.For depth larger than 14 μm the experimental points exhibit significant spread and do not agree with theresults of standard method