Estudo estrutural, morfológico, elétrico e óptico de cristais de a-Ag2WO4 dopados com Mo6+ via co-precipitação assistida por PVP

Pós-graduação em Química - IQ

Novos materiais multifuncionais para aplicação em fotocatálise

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Desinfecção fotoeletrocatalítica de águas contaminadas com Candida Parapsilosis utilizando eletrodos de W/WO3 em tratamento fotoeletrocatalítico

Pós-graduação em Química - IQ

Estudo das propriedades ópticas de pós cerâmicos à base de Zn3Ga2Ge2O10: X% Cr3+ (X = 0 ; 0,5 ; 0,75 ; 1,0)

Ceramic powders based on Zn3Ga2Ge2O10: Cr3+ X% (X = 0.0; 0.5; 0.75; 1.0) were synthesized by solid-state reaction method. The gallium-zinc germanate doped with chromium presents an interesting property of phosphorescence, that means, it is capable of emitting light when excited by a source of radiation, and such emission remains for some time after stopping the source. For this reason, these materials can be widely applied in night-vision surveillance, (through the use of solar energy, for example), electronic devices screen, emergency routes signals, control panels indicators in dark environments, etc. In this job were considered different amounts of dopant in order to perform a comparison of structural and photoluminescent properties. For that, some analyses were performed on samples, such as XRD, FT-Raman, SEM, UV-vis and photoluminescence measurements (PL). Such analysis allowed to infer that the presence of chromium results in no phase transformation, so that the four compositions have the same set of phases: cubic, rhombohedral and hexagonal. Although the structure was not changed, chromium influences other properties / characteristics of these materials. Examples are: increase of band-gap, decrease of average particle size, small changes in binding energy checked by Raman and especially the increase of photoluminescent property. The chromium ions have great ease in replacing gallium ions in octahedral sites, resulting in emission of light with a wavelength of about 700 nm (infrared region), which is justified by the spin-forbidden 2E 4A2 transition. In other words, chromium is a favorable luminescent center, acting as a trap in the crystal structure, since it imprisons the excitation energy easily and releases it gradually, allowing the phosphorescence. It was observed that the composition ... (Complete abastract click electronic access below)

Estudo das propriedades ópticas de pós cerâmicos à base de Zn3Ga2Ge2O10: X% Cr3+ (X = 0 ; 0,5 ; 0,75 ; 1,0)

Ceramic powders based on Zn3Ga2Ge2O10: Cr3+ X% (X = 0.0; 0.5; 0.75; 1.0) were synthesized by solid-state reaction method. The gallium-zinc germanate doped with chromium presents an interesting property of phosphorescence, that means, it is capable of emitting light when excited by a source of radiation, and such emission remains for some time after stopping the source. For this reason, these materials can be widely applied in night-vision surveillance, (through the use of solar energy, for example), electronic devices screen, emergency routes signals, control panels indicators in dark environments, etc. In this job were considered different amounts of dopant in order to perform a comparison of structural and photoluminescent properties. For that, some analyses were performed on samples, such as XRD, FT-Raman, SEM, UV-vis and photoluminescence measurements (PL). Such analysis allowed to infer that the presence of chromium results in no phase transformation, so that the four compositions have the same set of phases: cubic, rhombohedral and hexagonal. Although the structure was not changed, chromium influences other properties / characteristics of these materials. Examples are: increase of band-gap, decrease of average particle size, small changes in binding energy checked by Raman and especially the increase of photoluminescent property. The chromium ions have great ease in replacing gallium ions in octahedral sites, resulting in emission of light with a wavelength of about 700 nm (infrared region), which is justified by the spin-forbidden 2E 4A2 transition. In other words, chromium is a favorable luminescent center, acting as a trap in the crystal structure, since it imprisons the excitation energy easily and releases it gradually, allowing the phosphorescence. It was observed that the composition ... (Complete abastract click electronic access below)

Molecular and Electronic Structure of the Peptide Subunit of Geobacter sulfurreducens Conductive Phi from First Principles

The respiration of metal oxides by the bacterium Geobacter sulfurreducens requires the assembly of a small peptide (the GS pilin) into conductive filaments termed pili. We gained insights into the contribution of the GS pilin to the pilus conductivity by developing a homology model and performing molecular dynamics simulations of the pilin peptide in vacuo and in solution. The results were consistent with a predominantly helical peptide containing the conserved a-helix region required for pilin assembly but carrying a short carboxy-terminal random-coiled segment rather than the large globular head of other bacterial pilins. The electronic structure of the pain was also explored from first principles and revealed a biphasic charge distribution along the pilin and a low electronic HOMO-LUMO gap, even in a wet environment. The low electronic band gap was the result of strong electrostatic fields generated by the alignment of the peptide bond dipoles in the pilin's alpha-helix and by charges from ions in solution and amino acids in the protein. The electronic structure also revealed some level of orbital delocalization in regions of the pilin containing aromatic amino acids and in spatial regions of high resonance where the HOMO and LUMO states are, which could provide an optimal environment for the hopping of electrons under thermal fluctuations. Hence, the structural and electronic features of the pilin revealed in these studies support the notion of a pilin peptide environment optimized for electron conduction.

Discovery of the Persistent Luminescence Mechanism of CdSiO3:Tb3+

The persistent luminescence of CdSiO3:Tb3+ was investigated with photoluminescence, thermoluminescence (TL), synchrotron radiation X-ray absorption (XANES and EXAFS) and UV-VUV spectroscopies. Only the typical intraconfigurational 4f(8)-4f(8) transitions of the Tb3+ ion were observed with no traces of band emission in either the conventional UV excited or persistent luminescence spectra. The trap structure from TL with three traps from 0.65 to 0.85 eV is ideal for room-temperature persistent luminescence similar to, e.g., Sr2MgSi2O7:Eu2+,R3+. Despite the rather low band gap energy, 5.28 eV, the persistent luminescence from Tb3+ is produced only under UV irradiation due to the inauspicious position of the F-7(6) ground level deep in the band gap of CdSiO3. This confirms the role of electrons as the charge carriers in the mechanism of Tb3+ persistent luminescence. The XANES spectra indicated the presence of only the trivalent Tb3+ species, thus excluding the direct Tb3+ -> Tb-IV oxidation during the charging process of persistent luminescence. Eventually, a unique persistent luminescence mechanism for Tb3+ in CdSiO3 was constructed based on the comprehensive experimental data.

First principles calculations for vacancies and antisites in PbSe and PbTe: bulk and nanowire.

The energetic stability and the electronic properties of vacancies (VX) and antisites (XY) in PbSe and PbTe are investigated. PbSe and PbTe are narrow band gap semiconductors and have the potential to be used in infrared detectors, laser, and diodes. They are also of special interest for thermoelectric devices (TE). The calculations are based in the Density Functional Theory (DFT) and the General Gradient Approximation (GGA) for the exchange-correlation term, as implemented in the VASP code. The core and valence electrons are described by the Projected Augmented Wave (PAW) and the Plane Wave (PW) methods, respectively. The defects are studied in the bulk and nanowire (NW) system. Our results show that intrinsec defects (vacancies and antisites) in PbTe have lower formation energies in the NW as compared to the bulk and present a trend in migrate to the surface of the NW. For the PbSe we obtain similar results when compare the formation energy for the bulk and NW. However, the Pb vacancy and the antisites are more stable in the core of the NW. The intrinsec defects are shallow defects for the bulk system. For both PbSe and PbTe VPb is a shallow acceptor defect and VSe and VT e are shallow donor defects for the PbSe and PbTe, respectively. Similar electronic properties are observed for the antisites. For the Pb in the anion site we obtain an n-type semiconductor for both PbSe and PbTe, SeP b is a p-type for the PbSe, and T eP b is a n-type for PbTe. Due the quantum con¯nement effects present in the NW (the band gap open), these defects have different electronic properties for the NW as compared to the bulk. Now these defects give rise to electronic levels in the band gap of the PbTe NW and the VT e present a metallic character. For the PbSe NW a p-type and a n-type semiconductor is obtained for the VP b and P bSe, respectively. On the other hand, deep electronic levels are present in the band gap for the VSe and SePb. These results show that due an enhanced in the electronic density of states (DOS) near the Fermi energy, the defective PbSe and PbTe are candidates for efficient TE devices.

Liquid crystalline oligofluorenes and their derivatives

Homo-oligofluorenes (OFn), polyfluorenes (PF2/6) and oligofluorenes with one fluorenenone group in the center (OFnK) were synthesized. They were used as model compounds to understand of the structure-property relationships of polyfluorenes and the origin of the green emission in the photoluminescence (after photooxidation of the PFs) and the electroluminescence (EL) spectra. The electronic, electrochemical properties, thermal behavior, supramolecular self-assembly, and photophysical properties of OFn, PF2/6 and OFnK were investigated. Oligofluorenes with 2-ethylhexyl side chain (OF2-OF7) from the dimer up to the heptamer were prepared by a series of stepwise transition metal mediated Suzuki and Yamamoto coupling reactions. Polyfluorene was synthesized by Yamamoto coupling of 2,7-dibromo-9,9-bis(2-ethylhexyl)fluorene. Oligofluorenes with one fluorenone group in the center (OF3K, OF5K, OF7K) were prepared by Suzuki coupling between the monoboronic fluorenyl monomer, dimer, trimer and 2, 7-dibromofluorenone. The electrochemical and electronic properties of homo-oligofluorenes (OFn) were systematically studied by several combined techniques such as cyclic voltammetry, differential pulse voltammetry, UV-vis absorption spectroscopy, steady and time-resolved fluorescence spectroscopy. It was found that the oligofluorenes behave like classical conjugated oligomers, i.e., with the increase of the chain-length, the corresponding oxidation potential, the absorption and emission maximum, ionization potential, electron affinity, band gap and the photoluminescence lifetime displayed a very good linear relation with the reciprocal number of the fluorene units (1/n). The extrapolation of these linear relations to infinite chain length predicted the electrochemical and electronic properties of the corresponding polyfluorenes. The thermal behavior, single-crystal structure and supramolecular packing, alignment properties, and molecular dynamics of the homo-oligofluorenes (OFn) up to the polymer were studied using techniques such as TGA, DSC, WAXS, POM and DS. The OFn from tetramer to heptamer show a smectic liquid crystalline phase with clearly defined isotropization temperature. The oligomers do show a glass transition which exhibits n-1 dependence and allows extrapolation to a hypothetical glass transition of the polymer at around 64 °C. A smectic packing and helix-like conformation for the oligofluorenes from tetramer to heptamer was supported by WAXS experiments, simulation, and single-crystal structure of some oligofluorene derivatives. Oligofluorenes were aligned more easily than the corresponding polymer, and the alignability increased with the molecular length from tetramer to heptamer. The molecular dynamics in a series of oligofluorenes up to the polymer was studied using dielectric spectroscopy. The photophysical properties of OFn and PF2/6 were investigated by the steady-state spectra (UV-vis absorption and fluorescence spectra) and time-resolved fluorescence spectra both in solution and thin film. The time-resolved fluorescence spectra of the oligofluorenes were measured by streak camera and gate detection technique. The lifetime of the oligofluorenes decreased with the extension of the chain-length. No green emission was observed in CW, prompt and delayed fluorescence for oligofluorenes in m-THF and film at RT and 77K. Phosphorescence was observed for oligofluorenes in frozen dilute m-THF solution at 77K and its lifetime increased with length of oligofluorenes. A linear relation was obtained for triplet energy and singlet energy as a function of the reciprocal degree of polymerization, and the singlet-triplet energy gap (S1-T1) was found to decrease with the increase of degree of polymerization. Oligofluorenes with one fluorenone unit at the center were used as model compounds to understand the origin of the low-energy (“green”) emission band in the photoluminescence and electroluminescence spectra of polyfluorenes. Their electrochemical properties were investigated by CV, and the ionization potential (Ip) and electron affinity (Ea) were calculated from the onset of oxidation and reduction of OFnK. The photophysical properties of OFnK were studied in dilute solution and thin film by steady-state spectra and time-resolved fluorescence spectra. A strong green emission accompanied with a weak blue emission were obtained in solution and only green emission was observed on film. The strong green emission of OFnK suggested that rapid energy transfer takes place from higher energy sites (fluorene segments) to lower energy sites (fluorenone unit) prior to the radiative decay of the excited species. The fluorescence spectra of OFnK also showed solvatochromism. Monoexponential decay behaviour was observed by time-resolved fluorescence measurements. In addition, the site-selective excitation and concentration dependence of the fluorescence spectra were investigated. The ratio of green and blue emission band intensities increases with the increase of the concentration. The observed strong concentration dependence of the green emission band in solution suggests that increased interchain interactions among the fluorenone-containing oligofluorene chain enhanced the emission from the fluorenone defects at higher concentration. On the other hand, the mono-exponential decay behaviour and power dependence were not influenced significantly by the concentration. We have ruled out the possibility that the green emission band originates from aggregates or excimer formation. Energy transfer was further investigated using a model system of a polyfluorene doped by OFnK. Förster-type energy transfer took place from PF2/6 to OFnK, and the energy transfer efficiency increased with increasing of the concentration of OFnK. Efficient funneling of excitation energy from the high-energy fluorene segments to the low-energy fluorenone defects results from energy migration by hopping of excitations along a single polymer chain until they are trapped on the fluorenone defects on that chain or transferred onto neighbouring chains by Förster-type interchain energy transfer process. These results imply that the red-shifted emission in polyfluorenes can originate from (usually undesirable) keto groups at the bridging carbon atoms-especially if the samples have been subject to photo- or electro-oxidation or if fluorenone units are present due to an improper purification of the monomers prior to polymerization.

Numerical study of graphene as a channel material for field-effect transistors

Graphene excellent properties make it a promising candidate for building future nanoelectronic devices. Nevertheless, the absence of an energy gap is an open problem for the transistor application. In this thesis, graphene nanoribbons and pattern-hydrogenated graphene, two alternatives for inducing an energy gap in graphene, are investigated by means of numerical simulations. A tight-binding NEGF code is developed for the simulation of GNR-FETs. To speed up the simulations, the non-parabolic effective mass model and the mode-space tight-binding method are developed. The code is used for simulation studies of both conventional and tunneling FETs. The simulations show the great potential of conventional narrow GNR-FETs, but highlight at the same time the leakage problems in the off-state due to various tunneling mechanisms. The leakage problems become more severe as the width of the devices is made larger, and thus the band gap smaller, resulting in a poor on/off current ratio. The tunneling FET architecture can partially solve these problems thanks to the improved subthreshold slope; however, it is also shown that edge roughness, unless well controlled, can have a detrimental effect in the off-state performance. In the second part of this thesis, pattern-hydrogenated graphene is simulated by means of a tight-binding model. A realistic model for patterned hydrogenation, including disorder, is developed. The model is validated by direct comparison of the momentum-energy resolved density of states with the experimental angle-resolved photoemission spectroscopy. The scaling of the energy gap and the localization length on the parameters defining the pattern geometry is also presented. The results suggest that a substantial transport gap can be attainable with experimentally achievable hydrogen concentration.

Photovoltaics from discotic liquid crystalline HBCs & poly(2,7-carbazole)s

In this study, the use of the discotic liquid crystalline HBCs and conjugated polymers based on 2,7-carbazole were investigated in detail as donor materials in organic bulk-heterojunction solar cells. It has been shown that they perform efficiently in photovoltaic devices in combination with suitable acceptors. The efficiency was found to depend strongly dependent on the morphology of the film. By investigation of a series of donor materials with similar molecular structures based on both discotic molecules and conjugated polymers, a structure-performance relation was established, which is not only instructive for these materials but also serves as a guideline for improved molecular design. For the series of HBCs used in this study, it is found that the device efficiency decreases with increasing length of the alkyl substituents in the HBC. Thus, the derivative with the smallest alkyl mantle, being more crystalline compared to the HBCs with longer alkyl chains, gave the highest EQE of 12%. A large interfacial separation was found in the blend of HBC-C6,2 and PDI, since the crystallization of the acceptor occurred in a solid matrix of HBC. This led to small dispersed organized domains and benefited the charge transport. In contrast, blends of HBC-C10,6/PDI or HBC-C14,10/PDI revealed a rather homogeneous film limiting the percolation pathways due to a mixed phase. For the first time, poly(2,7-carbazole) was incorporated as a donor material in solar cells using PDI as an electron acceptor. The good fit in orbital energy levels and absorption spectra led to high efficiency. This result indicates that conjugated polymers with high band-gap can also be applied as materials to build efficient solar cells if appropriate electron acceptors are chosen. In order to enhance the light absorption ability, new ladder-type polymers based on pentaphenylene and hexaphenylene with one and three nitrogen bridges per repeat unit have been synthesized and characterized. The polymer 2 with three nitrogen bridges showed more red-shifted absorbance and emission and better packing in the solid-state than the analogous polymer 3 with only one nitrogen bridge per monomer unit. An overall efficiency as high as 1.3% under solar light was obtained for the device based on 1 and PDI, compared with 0.7% for the PCz based device. Therefore, the device performance correlates to a large extent with the solar light absorption ability and the lateral distance between conjugated polymer chains. Since the lateral distance is determined by the length and number of attached alkyl side chains, it is possible to assume that these substituents insulate the charge carrier pathways and decrease the device performance. As an additional consequence, the active semiconductor is diluted in the insulating matrix leading to a lower light absorption. This work suggests ways to improve device performance by molecular design, viz. maintaining the HOMO level while bathochromically shifting the absorption by adopting a more rigid ladder-type structure. Also, a high ratio of nitrogen bridges with small alkyl substituents was a desirable feature both in terms of adjusting the absorption and maintaining a low lateral inter-chain separation, which was necessary for obtaining high current and efficiency values.

Numerical Modelling of Graphene Nanoribbon-fets for Analog and Digital Applications

Graphene, that is a monolayer of carbon atoms arranged in a honeycomb lattice, has been isolated only recently from graphite. This material shows very attractive physical properties, like superior carrier mobility, current carrying capability and thermal conductivity. In consideration of that, graphene has been the object of large investigation as a promising candidate to be used in nanometer-scale devices for electronic applications. In this work, graphene nanoribbons (GNRs), that are narrow strips of graphene, for which a band-gap is induced by the quantum confinement of carriers in the transverse direction, have been studied. As experimental GNR-FETs are still far from being ideal, mainly due to the large width and edge roughness, an accurate description of the physical phenomena occurring in these devices is required to have valuable predictions about the performance of these novel structures. A code has been developed to this purpose and used to investigate the performance of 1 to 15-nm wide GNR-FETs. Due to the importance of an accurate description of the quantum effects in the operation of graphene devices, a full-quantum transport model has been adopted: the electron dynamics has been described by a tight-binding (TB) Hamiltonian model and transport has been solved within the formalism of the non-equilibrium Green's functions (NEGF). Both ballistic and dissipative transport are considered. The inclusion of the electron-phonon interaction has been taken into account in the self-consistent Born approximation. In consideration of their different energy band-gap, narrow GNRs are expected to be suitable for logic applications, while wider ones could be promising candidates as channel material for radio-frequency applications.

Studio, microfabbricazione e caratterizzazione di dispositivi in silicio deformato per applicazioni opto-elettroniche

Il silicio, materiale di base per la realizzazione di gran parte dei dispositivi microelettronici, non trova largo impiego in fotonica principalmente a causa delle sue proprietà elettromagnetiche: oltre ad un band-gap indiretto, il silicio presenta difatti una elevata simmetria reticolare che non permette la presenza di alcuni effetti, come quello elettro-ottico, che sono invece utilmente sfruttati in altri materiali per la fotonica. E’ stato recentemente dimostrato che la deformazione indotta dalla deposizione di film ad alto stress intrinseco potrebbe indurre alcuni di questi effetti, rompendo le simmetrie della struttura. In questo lavoro di tesi viene studiata, mediante simulazioni, microfabbricazione di dispositivi, e caratterizzazione sperimentale, la deformazione reticolare indotta su strutture di tipo ridge micrometriche in silicio mediante deposizione di un film di Si3N4. La deformazione e’ stata analizzata tramite simulazione, utilizzando il metodo agli elementi finiti ed analisi di strain tramite la tecnica di microscopia ottica a trasmissione Convergent-Beam Electron Diffraction. Questa tecnica permette di ottenere delle mappe 2D di strain con risoluzione spaziale micrometrica e sensibilita’ dell’ordine di 100microstrain. Il confronto fra le simulazioni e le misure ha messo in evidenza un accordo quantitativo fra le due analisi, da una parte confermando la validità del modello numerico utilizzato e dall’altro verificando l’accuratezza della tecnica di misura, impiegata innovativamente su strutture di questo tipo. Si sono inoltre stimate le grandezze ottiche: birifrangenza e variazione dell’indice di rifrazione efficace rispetto al caso deformato.di una guida SOI su cui e’ deposto uno strato di nituro. I valori stimati, per uno spessore di 350 nm sono rispettivamente di 0.014 e -0.00475. Questi valori lasciano credere che la tecnologia sia promettente, e che un’evoluzione nei processi di fabbricazione in grado migliorare il controllo delle deformazione potrebbe aprire la strada ad un utilizzo del silicio deformato nella realizzazione di dispositivi ottici ed elettro-ottici.

Röntgenabsorptionsspektroskopie und magnetischer Röntgenzirkulardichroismus an dünnen Heusler-Filmen

Verbindungen aus nicht ferromagnetischen Bestandteilen, die ferromagnetische Eigenschaf-ten zeigen, sind seit Anfang des 20. Jahrhunderts bekannt und werden nach ihrem Entdecker als Heusler-Verbindungen bezeichnet. Seitdem haben sie nichts von ihrer Faszination eingebüßt, besitzen sie doch eine Fülle besonderer Eigenschaften mit Anwendungen z.B. in der Spintronik.rnAuf der Suche nach geeigneten Legierungen ist es wünschenswert, zunächst grundlegende Eigenschaften wie das magnetische Moment elementspezifisch bestimmen zu können. Hierfür sind Methoden wie Röntgenabsorptionsspektroskopie und magnetischer Röntgenzirkulardichroismus (XAS/XMCD) prädestiniert.rnIm Rahmen dieser Arbeit wurde eine Apparatur entwickelt, mit deren Hilfe XAS- und XMCD-Messungen an dünnen Heusler-Filmen durchgeführt werden können. Da Grenzflächeneigenschaften von besonderem Interesse sind, wurde der experimentelle Aufbau so gewählt, dass gleichzeitig Volumen und Oberflächeneigenschaften untersucht werden können. Durch Vergleich dieser Messdaten erhält man Zugang zu den Grenzflächeneigenschaften.rnSo konnte mit XAS-Messungen nachgewiesen werden, dass sich die chemischen Eigenschaften an der Grenzfläche mancher Filme von denen im Volumen des Films unterscheiden (Oxidation bzw. Interdiffusion der Abdeckschicht). Auch stöchiometrische Unterschiede zwischen Oberfläche und Volumen konnten so identifiziert werden.rnMit Hilfe von XMCD-Messungen wurden elementspezifische magnetische Momente bestimmt und mit theoretischen Vorhersagen verglichen. Auch hierbei konnten Oberflächen- und Volumenmomente miteinander verglichen werden. So wurde z.B. unter Verwendung einer Schichtserie die Anzahl magnetischer Totlagen an beiden Grenzflächen bestimmt. Diese Informationen sind wichtig, um die Qualität dünner Filme steigern zu können.rnDes Weiteren war es auch möglich, temperaturabhängige Änderungen in der Ni2MnGa Zustandsdichte, die von der Theorie vorhergesagt wurden, in den XAS-Spektren nachzuweisen. Schließlich wurde noch eine Methode entwickelt, die es erlaubt, unter bestimmten Voraussetzungen auf die partielle unbesetzte Zustandsdichte (PDOS) zu schließen. Dies liefert wichtige Hinweise auf Lage und Breite der bisher nur theoretisch vorhergesagten Bandlücke. Es ist mit der hier vorgestellten Methode nicht möglich, die gesamte PDOS für alle Elemente zu vermessen, doch können so relativ leicht vielversprechende Kandidaten für weitere Untersuchungen gefunden werden.rn

Studies of degradation of organic solar cell materials using electrical scanning probe microscopy

Intense research is being done in the field of organic photovoltaics in order to synthesize low band-gap organic molecules. These molecules are electron donors which feature in combination with acceptor molecules, typically fullerene derivarntives, forming an active blend. This active blend has phase separated bicontinuous morphology on a nanometer scale. The highest recorded power conversionrnefficiencies for such cells have been 10.6%. Organic semiconductors differ from inorganic ones due to the presence of tightly bonded excitons (electron-hole pairs)resulting from their low dielectric constant (εr ≈2-4). An additional driving force is required to separate such Frenkel excitons since their binding energy (0.3-1 eV) is too large to be dissociated by an electric field alone. This additional driving force arises from the energy difference between the lowest unoccupied molecular orbital (LUMO) of the donor and the acceptor materials. Moreover, the efficiency of the cells also depends on the difference between the highest occupied molecular orbital (HOMO) of the donor and LUMO of the acceptor. Therefore, a precise control and estimation of these energy levels are required. Furthermore any external influences that change the energy levels will cause a degradation of the power conversion efficiency of organic solar cell materials. In particular, the role of photo-induced degradation on the morphology and electrical performance is a major contribution to degradation and needs to be understood on a nanometer scale. Scanning Probe Microscopy (SPM) offers the resolution to image the nanometer scale bicontinuous morphology. In addition SPM can be operated to measure the local contact potential difference (CPD) of materials from which energy levels in the materials can be derived. Thus SPM is an unique method for the characterization of surface morphology, potential changes and conductivity changes under operating conditions. In the present work, I describe investigations of organic photovoltaic materials upon photo-oxidation which is one of the major causes of degradation of these solar cell materials. SPM, Nuclear Magnetic Resonance (NMR) and UV-Vis spectroscopy studies allowed me to identify the chemical reactions occurring inside the active layer upon photo-oxidation. From the measured data, it was possible to deduce the energy levels and explain the various shifts which gave a better understanding of the physics of the device. In addition, I was able to quantify the degradation by correlating the local changes in the CPD and conductivity to the device characteristics, i.e., open circuit voltage and short circuit current. Furthermore, time-resolved electrostatic force microscopy (tr-EFM) allowed us to probe dynamic processes like the charging rate of the individual donor and acceptor domains within the active blend. Upon photo-oxidation, it was observed, that the acceptor molecules got oxidized first preventing the donor polymer from degrading. Work functions of electrodes can be tailored by modifying the interface with monomolecular thin layers of molecules which are made by a chemical reaction in liquids. These modifications in the work function are particularly attractive for opto-electronic devices whose performance depends on the band alignment between the electrodes and the active material. In order to measure the shift in work function on a nanometer scale, I used KPFM in situ, which means in liquids, to follow changes in the work function of Au upon hexadecanethiol adsorption from decane. All the above investigations give us a better understanding of the photo-degradation processes of the active material at the nanoscale. Also, a method to compare various new materials used for organic solar cells for stability is proposed which eliminates the requirement to make fully functional devices saving time and additional engineering efforts.