Óxido e fosfato de nióbio, calcinados em diferentes temperaturas, foram usados como catalisadores na reação de desidratação de 1-butanol, onde o efeito da temperatura de reação, da massa de catalisador e da vazão de butanol sobre a conversão e seletividade a butenos foram avaliadas através de um plano experimental. Foram caracterizadas as propriedades cristalográficas dos catalisadores. A maioria dos catalisadores apresentaram uma estrutura amorfa, mas algumas amostras apresentaram uma estrutura cristalina quando calcinadas em maiores temperaturas, 500 e 850 °C para o NbO e NbP, respectivamente. Nos testes reacionais, observou-se que o aumento da temperatura de calcinação dos catalisadores reduziu a conversão de 1-butanol. O catalisador fosfato de nióbio apresentou maior atividade, já que foi obtida uma conversão similar à do óxido de nióbio com uma massa 5 vezes menor, indicando a presença de sítios ácidos mais ativos. Além disso, a variável reacional que teve maior efeito na conversão foi a vazão de alimentação de 1-butanol; e seu aumento causou um decréscimo nos valores de conversão. Este comportamento indicou que a ordem aparente da reação é menor que um, o que foi confirmado por um modelo cinético baseado em lei de potência, o qual ajustado aos dados experimentais resultou em uma ordem aparente em torno de zero Equações fenomenológicas de velocidade de reação baseadas no modelo LHHW foram desenvolvidos. O teste estatístico F de Fisher foi utilizado para comparar os modelos fenomenológicos obtidos: para o óxido de nióbio calcinado em 400 °C o modelo heterogêneo que leva em conta apenas a adsorção de butanol foi considerado o mais adequado; para o fosfato de nióbio calcinado em 400 °C o modelo heterogêneo que leva em conta a adsorção de butanol e de água foi o mais adequado. Para ambos os catalisadores, com exceção do NbO calcinado em 500 °C, foi observada uma significativa isomerização de 1-buteno a 2-buteno, principalmente nas condições que foi obtida uma maior conversão de butanol. Este fato comprova a elevada força ácida destes catalisadores. A seletividade a 2-buteno foi maior ou igual a 1-buteno em todas as temperaturas e condições de reação com fosfato de nióbio. Para o óxido de nióbio, a seletividade a 2-buteno foi maior em poucas condições reacionais. / Niobium oxide and phosphate, calcined at different temperatures, were used as catalysts in the 1-butanol dehydration reaction, where the effect of reaction temperature, catalyst mass and butanol flow rate on conversion and selectivity to butenes were evaluated through an experimental design. The catalysts crystallographic properties were characterized. Most catalysts presented an amorphous structure, but some samples presented a crystalline structure when calcined at higher temperatures, 500 and 850 °C for NbO and NbP, respectively. In the reaction testes, it was observed that the increase in the catalysts calcination temperature decreased the 1-butanol conversion. The niobium phosphate catalyst presented higher activity, since it was obtained a similar conversion to that of niobium oxide with a mass 5 times lower, indicating the presence of more active acidic sites. Furthermore, the reaction variable that had the highest effect on the conversion was in the 1-butanol feeding flow rate; and its growth caused a decrease in the conversion values. This behavior indicated that the apparent reaction order is lower than one, which was confirmed through a kinetic model based on power law, which adjusted to the experimental data resulted in an apparent order around zero Phenomenological equations of reaction rate based on the LHHW model were developed. The Fisher statistical test was used to compare the phenomenological models obtained: for the niobium oxide calcined at 400 °C the heterogeneous model that takes into account only the adsorption of butanol was considered the most adequate; for the niobium phosphate calcined at 400 °C the heterogeneous model that takes into account the adsorption of butanol and of water was the most adequate. For both catalysts, with the exception of NbO calcined at 500 °C, a significant isomerization of 1-butene to 2-butene was observed, mainly in the conditions that were obtained a higher conversion of butanol. This fact proves the elevated acid strength of these catalysts. The selectivity to 2-butene was higher or equal to 1-butene at all reaction temperature and conditions where niobium phosphate was employed. For the niobium oxide, the selectivity to 2-butene was higher in a few reaction conditions.

Superconducting thin films are a possible alternative to bulk niobium for superconducting radio frequency cavity applications. Thin film cavities have produced larger Q0 than bulk niobium at low accelerating voltages [1], are less susceptible to external magnetic fields and therefore require less magnetic shielding than bulk niobium cavities [2] and can benefit from substrates which conduct heat more effectively than bulk niobium [3]. The major drawback for current thin film cavity technology is the large Q slope which is observed above accelerating gradients of 6 7 MV/m. The mechanism for the Q slope is not yet fully understood. Theories have been suggested but are not accepted by everyone within the scientific community [2, 4, 5, 6, 7]. It is assumed that a better understanding of the physical properties of superconducting films is required before the origins of the sharp Q slope can be elucidated. This study has been conducted to better understand the physical properties of superconducting thin films deposited by the magnetron sputtering process. In particular, superconducting niobium films have been deposited by high power impulse magnetron sputtering (HiPIMS) and tested by a wide range of analytical techniques as a function of the substrate temperature and applied bias during deposition. Analytical techniques which have been used include x-ray diffraction crystallography, Rutherford backscattering spectroscopy, scanning electron microscopy, residual resistance ratio, DC magnetometry and RF surface resistance measurements. Results showed that the application of an applied bias during deposition resulted in increased energy of bombarding ions and enhanced rates of surface diffusion and defect annihilation within the microstructure of a growing niobium film. However, large numbers of random complex defects formed once the energy of bombarding ions becomes too large. The systematic approach that was described to investigate the changing morphological and DC superconducting properties of deposited films, as a function of the applied bias, allowed the identification of which process conditions produce the fewest random complex defects. The same systematic investigations could be applied to any HiPIMS deposition facility to provide similar results. An important observation during the study is that the initial substrate conditions have a large influence on the properties of a deposited niobium film. Niobium films deposited onto polycrystalline copper substrate that was pre-annealed at 700 ˚C prior to deposition displayed more stable magnetic flux pinning, larger RRR and an enhanced resistance to the onset of flux penetration, than was observed for films deposited with a wide range of process conditions onto as received copper substrate. Superconductors other than niobium have been successfully deposited by HiPIMS and tested. Niobium titanium nitride thin films displayed a superconducting transition temperature up to 16.7 K, with a normal state resistivity as small as 45±7 μΩcm. The findings suggest that similar niobium titanium nitride thin films could produce smaller RF surface resistance than bulk niobium cavities at 4.2 K.

Wai, Kwai Fong = 錳氧化物 - 鈮摻雜之鈦酸鍶異構結的電流電壓關係測量 / 韋桂芳. / "Sept 2007." / Thesis (M.Phil.)--Chinese University of Hong Kong, 2007. / Includes bibliographical references. / Text in English; abstracts in English and Chinese. / Wai, Kwai Fong = Meng yang hua wu - ni shan za zhi tai suan si yi gou jie de dian liu dian ya guan xi ce liang / Wei Guifang. / Acknowledgement / Abstract / 論文摘要 / Table of content / List of Figures / List of Tables / Appendix A / Chapter Chapter 1 --- Introduction / Chapter 1.1 --- Structure and properties of perovskite manganites / Chapter 1.2 --- Magnetoresistance (MR) / Chapter 1.3 --- Giant Magnetoresistance (GMR) / Chapter 1.4 --- Colossal Magnetoresistance (CMR) / Chapter 1.4.1 --- Exchange interaction and CMR / Chapter 1.5 --- p-n junction / Chapter 1.5.1 --- Fundamentals of a p-n homojunction / Chapter 1.5.2 --- Deviations from the Ideal Diode / Chapter 1.5.2.1 --- Zener breakdown / Chapter 1.5.2.2 --- Avalanche / Chapter 1.5.3 --- Heterojunction / Chapter 1.6 --- Research motivation / Chapter 1.7 --- Scope of the thesis / References / Chapter Chapter 2 --- Experimental details / Chapter 2.1 --- Thin film deposition / Chapter 2.1.1 --- Facing target sputtering / Chapter 2.1.2 --- Vacuum system / Chapter 2.1.3 --- Deposition procedure / Chapter 2.2 --- Oxygen annealing system / Chapter 2.3 --- Silver electrode coating apparatus / Chapter 2.4 --- Characterization / Chapter 2.4.1 --- Alpha-step profilometer / Chapter 2.4.2 --- X-ray diffractometer / Chapter 2.4.3 --- Electrical transport property measurement / Chapter 2.4.3.1 --- Measurement of resistance as a function of temperature (RT) / Chapter 2.4.3.2 --- Measurement of I-V characteristics of a junction / References / Chapter Chapter 3 --- Epitaxial LSMO/STON heterojunction / Chapter 3.1 --- Sample preparation / Chapter 3.2 --- Results and Analysis / Chapter 3.2.1 --- Structural analysis / Chapter 3.2.2 --- R-T measurement / Chapter 3.2.3 --- I-V measurement / Chapter 3.2.3.1 --- Analysis of diffusion voltage and breakdown voltage / Chapter 3.2.3.2 --- Construction of energy band diagram of LSMO/STON at room temperature / Chapter 3.2.3.3 --- Investigating how the energy band structure varies with the temperature / Chapter 3.2.3.4 --- Further development of the energy band analyzing method to wide-p/narrow-n heteroj unction / Chapter 3.2.3.5 --- Forward-biased deviations from ideal / Chapter 3.2.3.6 --- Discussion on the reasons for deviations from ideal / Chapter 3.2.4 --- MR determination / References / Chapter Chapter 4 --- Epitaxial [LSMO/PCMO] multilayers and p-n junction / Chapter 4.1 --- [LSMO/PCMO]/NGO multi-layered thin films / Chapter 4.1.1 --- Sample preparation / Chapter 4.1.2 --- Results and analysis / Chapter 4.1.2.1 --- Structural analysis / Chapter 4.1.2.2 --- R-T measurement / Chapter 4.2 --- [LSMO/PCMO]/STON multi-layered junction / Chapter 4.2.1 --- Sample preparation / Chapter 4.2.2 --- Results and analysis / Chapter 4.2.2.1 --- Structural analysis / Chapter 4.2.2.2 --- R-T measurement / Chapter 4.2.2.3 --- I-V measurement / Chapter 4.2.2.3.1 --- Analysis of diffusion voltage and breakdown voltage / Chapter 4.2.2.3.2 --- Investigating the energy band structure as a function of temperature / Chapter 4.2.2.3.3 --- Forward-biased deviations from an ideal junction diode / Chapter 4.2.2.3.4 --- Review on MR calculation / Chapter 4.2.2.3.5 --- Analysis of MR of [LSMO(8 A ) /PCMO(8 A)]/STON and LSMO/STON / References / Chapter Chapter 5 --- [La0 4Ca0.6MnO3/La0.8Ca0.2MnO3］p-n junction / Chapter 5.1 --- Sample preparation / Chapter 5.2 --- Result and analysis / Chapter 5.2.1 --- Structural analysis / Chapter 5.2.2 --- R-T measurement / Chapter 5.2.3 --- I-V measurement / Chapter 5.2.3.1 --- Analysis of diffusion voltage and breakdown voltage / Chapter 5.2.3.2 --- Investigating the energy band structure as a function of temperature / Chapter 5.2.3.3 --- Forward-biased deviations from ideal / Chapter 5.2.3.4 --- MR analysis / Chapter Chapter 6 --- Conclusion / Chapter 6.1 --- Conclusion / Chapter 6.2 --- Future outlook

Neste trabalho foram estudadas as series de ligas La0,7Mg0,3Al0,3Mn0,4Co(0,5-x)NbxNi3,8 (x =0 a 0,5) e La0,7Mg0,3Al0,3Mn0,4Nb(0,5-x)Ni(3,8-x) (x =0,3; 0,5 e 1,3), como eletrodo negativo de baterias de Níquel Hidreto Metálico. A pulverização das ligas foi realizada com duas pressões de H2 (2 bar e 9 bar). A capacidade de descarga das baterias de níquel hidreto metálico foi analisada pelo equipamento de testes elétricos Arbin BT-4. As ligas, no estado bruto de fusão, foram analisadas por microscopia eletrônica de varredura (MEV), espectroscopia de energia dispersiva (EDS) e difração de raios-X. Com o aumento da concentração de nióbio nas ligas nota-se a diminuição da estabilidade cíclica das baterias e da capacidade máxima de descarga. A capacidade de descarga máxima obtida foi para a liga La0,7Mg0,3Al0,3Mn0,4Co0,5Ni3,8 (45,36 mAh) e a bateria que apresentou a melhor performance foi a liga La0,7Mg0,3Al0,3Mn0,4Co0,4Nb0,1Ni3,8 (44,94 mAh). / In this work were studied La.7Mg0.3Al0.3Mn0,4Co(0.5-x)NbxNi3.8 (x= 0 - 0.5) and La0,7Mg0,3Al0,3Mn0.4Nb(05+x)Co0,5Ni(3.8-x). (x=0.3; 0.5;1.3) alloys for negative electrodes of the Nickel-Metal Hydride batteries. The hydrogenation of the alloys was performed varying pressing of H2 (2 and 9 bar). The discharge capacity of the nickel-metal hydride batteries were analyzed in the Arbin BT-4 electrical test equipment. The as-cast alloys were analyzed by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and X-Ray diffraction. The increasing Niobium addition in the alloys decreased cycle life and the maximum discharge capacity of the batteries. The maximum discharge capacity was obtained with the La.7Mg0.3Al0.3Mn0,4Co0.5Ni3.8 (45.36 mAh) and the battery which presented the best performance was La.7Mg0.3Al0.3Mn0.4Co0.5Nb0.1Ni3.8 (44.94 mAh).

O presente trabalho visa o estudo da eletrossíntese de H2O2 a partir da reação de redução de oxigênio (RRO) utilizando carbono Printex 6L modificado com óxidos binários compostos de nióbio, molibdênio e paládio, síntetizados pelo método dos precursores poliméricos. A análise dos materiais preparados foi feita a partir de experimentos de análise termogravimétrica (do inglês, TGA), fluorescência de raios X (FRX) e também de difração de raios X (DRX). As temperaturas de síntese foram escolhidas a partir dos resultados de TGA e tendo como temperatura máxima de 400 °C. As análises dos espectros de emissão de FRX mostraram a eficiência na incorporação dos materiais na matriz de carbono. Experimentos de DRX mostraram a presença de fases cristalinas de MoO2 e Nb2 O5 e PdO, e em comparação aos resultados da técnica de voltametria cíclica, existem pares redox que podem ser associados as transições dos metais nos estados de oxidação de +4 e +5, para molibdênio e nióbio, respectivamente e do estado +2 para o paládio. Nos experimentos de voltametria de varredura linear pode-se observar a tendência de maior geração de H2O2 pelo material com teor de 1% NbMo quando comparado com o carbono Printex 6L, de modo que foram calculadas as eficiências de geração de H2O2 , obtendo um resultado de 55,5% para o modificador de 1% NbMo comparado com 47,4% para o Printex 6L, e também de número de elétrons envolvidos na reação com um valor de 2,9 para o material de 1% e 3,1 para o carbono Printex. As análises das curvas de Koutechy-Levich confirmam os resultados anteriores. Análises em condições reduzidas na síntese orgânica corroboraram a melhor eficiência do material de 1% para o material com nióbio e molibdênio e revelaram a também a melhora eletrocatalítica do carbono quando incorporado com óxidos mistos de nióbio e paládio, sendo o melhor resultado expresso no material contendo 5% de nióbio e paládio, na proporção molar de 95 para 5% de cada elemento, respectivamente. / The present work aim the electrosynthesis study of H2O2 from the reduction reaction of oxygen (RRO) using carbon Printex 6L modified with binary oxides composed of niobium, molybdenum and palladium, synthetized by precursors method. The analyses of prepared compounds were made from thermogravimetric analyses (TGA) as well as x-ray fluorescence (XRF) and x-ray diffraction (XRD). The synthesis temperature was chosen by TGA results and having a maximum temperature of 400oC. The emission spectrum analysis from XRF showed the efficiency of materials incorporation in carbon matrix. DRX experiments showed the presence of crystalline phases of MoO2, Nb2O5 and PdO, and in comparison to the cyclic voltammetry technique results, there are redox pairs which can be associated to the transition of the metals in oxidation states of +4 and +5, to molybdenum and niobium, respectively, and state of +2 for palladium. In the experiments linear sweep voltammetry, it can be observed that the tendency of higher H2O2 generation by the material with 1% of NbMo content when it is compared to the Printex 6L carbon, so that were calculated the efficiency of H2O2 generation, obtaining a result of 55,5% for the 1% modifier in comparison with 47,4% for the Printex carbon, as well as the number of electrons involved in the reaction with a value of 2,9 to the 1% material and 3,1 to the Printex carbon. The analysis of Koutechy-Levich curves, confirm the previous results. Analysis under reduced conditions in the organic synthesis corroborates to greater efficiency of 1% material to the material with niobium and molybdenum and they also revealed the electrocatalytic improvement of carbon when it is incorporated with mixed oxide of niobium and palladium, being the best result expressed in the material containing 5% of niobium and palladium, in the molar proportion of 95 to 5% of each element, respectively

O crescimento dos núcleos de recristalização em direção à matriz deformada geralmente não ocorre de forma isotrópica. Perturbações locais na velocidade de migração dos contornos levam ao surgimento de protrusões. Trata-se de um aspecto importante na recristalização, porém ainda pouco explorado na literatura, especialmente quanto ao entendimento de quais mecanismos microestruturais explicam sua formação. O objetivo desta Tese de Doutorado é estudar a formação das protrusões na recristalização do nióbio oligocristalino. Para tal, uma chapa de nióbio com grãos bastante grosseiros foi retirada da seção longitudinal de um lingote fundido por feixe eletrônico. Foram selecionados de forma aleatória cinco grãos (A, B, C, D e E) para se avaliar eventuais efeitos de orientação na formação de protrusões. A chapa foi laminada a frio com vários passes até 50% de redução de espessura. Na sequência, a chapa foi dividida em duas partes, sendo que na primeira foi dado prosseguimento na laminação até atingir 70% de redução de espessura, enquanto que a segunda sofreu rotação de 90° em relação à direção de laminação inicial. As amostras foram recozidas entre 800 e 1200°C por 60 min. O grão E LC recristalizou em todas temperaturas estudadas, e o LD nas temperaturas entre 1000 e 1200°C. O grão A LC recristalizou em todas temperaturas, exceto em 1000°C, e LD recristalizou apenas em 1200°C. O grão C LC recristalizou apenas em 1200°C. Os grãos B e D não recristalizaram em nenhuma temperatura. Não foi possível identificar e associar diferenças significativas quanto ao potencial termodinâmico para recristalização à frente dos contornos com a formação das protrusões. Medidas de EBSD em 3D obtidas por seccionamento serial mostraram diferenças importantes do ponto de vista energético entre o contorno formado entre a protrusão e a matriz recuperada e o contorno entre a lateral do grão recristalizado e a matriz recuperada. O primeiro par é mais móvel, o que explica a morfologia alongada das protrusões. / The growth of recrystallization nuclei towards the deformed matrix generally does not occur in an isotropic manner. Local disturbances in the migration along grain boundaries lead to the formation of protrusions. This is an important aspect in recrystallization, but still less explored in the literature, especially regarding the understanding of which microstructural mechanisms explain its formation. This Thesis aims at to study the formation of protrusions during recrystallization of a niobium oligocrystal. A coarse-grained niobium plate was cut out from the longitudinal section of an electron-beam cast ingot. Five coarse grains (A, B, C, D and E) were randomly selected for this study to evaluate possible orientation effects on protrusion formation. The plate was cold rolled with several passes up to 50% thickness reduction. The sheet was cut into two parts. The former was straight rolled until 70% thickness reduction while the latter was rotated 90° with respect to the initial rolling direction. The samples were annealed at 800 to 1200°C for 60 min. Grain E CR recrystallized at all temperatures studied, and SR at temperatures between 1000 and 1200°C. Grain A CR recrystallized at all temperatures except 1000°C, and SR recrystallized only at 1200°C. Grain C CR recrystallized only at 1200°C. Grains B and D did not recrystallize at any temperature. It was not possible to identify and to associate significant differences of the thermodynamic potential for recrystallization ahead of the boundaries with the formation of protrusions. 3D EBSD measurements obtained by serial sectioning showed important differences regarding grain boundary energy between the boundary formed between the protrusion and the recovered matrix and the boundary formed by the lateral part of the recrystallized grain and the recovered matrix. The first pair is more mobile, which explains the elongated morphology of the protrusions.

Le niobium est un élément relativement rare, dont la chimie a la réputation d'être peu attractive. Ces dernières années, un grand intérêt a cependant été porté aux oxydes multimétalliques à base de niobium et ce, dans de nombreux domaines de pointe. De plus, du fait des limitations des méthodes de préparation conventionnelles de tels matériaux, une alternative, consistant à combiner en solution des précurseurs moléculaires des métaux, a été considérée. Les avantages de cette méthode sont nombreux : bonne homogénéité du matériau, température de traitement plus faible, surface spécifique plus importante,… Toutefois, dans le cas d'oxydes à base de Nb, peu de progrès ont été réalisés dans cette voie du fait de la faible disponibilité de sources appropriées. Dans ce contexte, une étude fondamentale sur les composés de coordination du Nb(V) a d'abord été réalisée. Des complexes hydrosolubles du niobium de type peroxo avec des ligands carboxylates, polyaminocarboxylates et hétérocycliques azotés ont été préparés et caractérisés. La mise en œuvre de la méthode choisie pour la préparation des oxydes mixtes a également nécessité l'étude de complexes similaires des autres métaux à incorporer, à savoir le tantale(V) et le molybdène(VI). Des composés hétérodinucléaires Nb-Ta ont également été étudiés. La seconde partie a été consacrée à l'utilisation des complexes dans la «méthode des précurseurs moléculaires» pour préparer des oxydes Nb-Ta, Nb-Ta-V et Nb-Ta-Bi sous forme massique et des oxydes Nb-Mo sous forme massique et supportée sur silice. Nous avons ainsi obtenu plusieurs phases mixtes pures qui présentent des surfaces et des morphologies très différentes d'un système à l'autre. De plus, notre méthode permet, dans le cas des oxydes Nb-Mo, d'obtenir la phase Nb2Mo3O14 bien dispersée sur le support. Finalement, une étude exploratrice concernant la capacité potentielle des complexes peroxo du Nb(V) à oxyder un substrat organique en phase liquide a été menée. Plusieurs paramètres expérimentaux ont été modifiés et les résultats obtenus dans le cas de l'oxydation du phényl-1-éthanol et de la dibenzylamine sont encourageants et parfois proches de valeurs issues de la littérature dans le cas de catalyseurs couramment utilisés dans les mêmes réactions.

Titanium oxide (TiO2) films have been actively investigated as many applications because of the mechanical and chemical durability, high refractive index and high transparency. In catalytic and electrochemical applications, it has been utilized as a stable semiconductor electrode for the conversion of solar energy into chemical or electrical energy. Uniform TiO2 films were deposited on conductive glass substrate (ITO/glass) by liquid phase deposition (LPD) with the aqueous solutions of ammonium hexafluoro-titanate and boric acid. Niobium oxide powder and Hydrofluoric acid which add deionized water were used to be Niobium doping solution. Undoped LPD-TiO2 has hydroxyl related defects and Li+ ions will be trapped to degrade the electrochromic durability. For niobium doping, the electrochromic characteristics were enhanced. Niobium doping in TiO2 can reduce hydroxyl related defects. The electrochromic durability was enhanced from 5¡Ñ103 to 1¡Ñ104 times. The transparency ratio was enhanced from 61 % to 70 % at the wavelength of 550 nm. In our experiment, TiO2 films morphology and thickness was characterized by scanning electron microscopy (SEM), structure was characterized by X-ray diffraction (XRD) and surface roughness was measured by atomic force microscopy (AFM), chemical properties was characterized by X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR), optical properties was characterized by spectrophotometer (MP-100), and electrochromic characterized by cyclic voltammetry (CHI627C).

Thesis (Ph. D.)--Lehigh University, 2003. / Includes vita. Includes bibliographical references (leaves 198-205).

Niobium (Nb) is a fascinating element, that when it is in a solid state has remarkable properties. This is believed to be a result of its electronic configuration that has partially filled 4d and 5s sub-shells. Nb has a melting temperature of 2750 K, a high strength at high temperature, and a good wear resistance. Because of these properties, Nb is used as material for components of rockets and jet engines, and for strengthening steel. In the phonon dispersion relations, Kohn anomalies are experimentally observed to weaken with increased temperature, which is related to the superconducting properties of Nb. I include anharmonicity when I calculate the thermodynamic properties of Nb and relate this to the electronic structure. In this thesis I show that anharmonicity can not be neglected when considering thermodynamic properties of Nb. I observe broadening in the electronic band structure with increasing temperature, correlated with the gradual weakening of the Kohn anomalies in the phonon dispersion relations. Kohn anomaly in the phonon dispersion relation can be observed at 300 K and is completely absent at 1200 K. The observation of the Kohn anomaly's disappearance in the calculations is of great importance because it cannot be repeated by approaches that do not include anharmonic effects, meaning that properties that are directly related to phonon dispersion, like elastic constants, can be calculated more accurately with this approach.