Download or read book Structural Electronic and Optical Properties of Nd Doped Anatase TiO2 for Dye Sensitized Solar Cells from Density Functional Theory written by and published by . This book was released on 2016 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First Principles Study on Structural Electronic and Optical Properties of TiO2 for Dye Sensitized Solar Cells Photoanode written by and published by . This book was released on 2016 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Titanium Dioxide written by Magdalena Janus and published by BoD – Books on Demand. This book was released on 2017-07-26 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: Titanium dioxide is mainly used as a pigment and photocatalyst. It is possible to find it in food, cosmetics, building materials, electric devices, and others. This book contains chapters about characteristics of anatase and rutile crystallographic structure of titanium dioxide and the use of theoretical calculation for photoactivity determination.
Download or read book First principles Investigations of Electronic Structures of Pristine and Doped Anatase Titanium Dioxide written by Yushan Wang and published by . This book was released on 2007 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chapters 4 through 6 are mainly concerned with insights into the mechanism of optical excitation in anatase TiO2. Chapters 7 and 8 are concerned with TiO2-based dilute magnetic semiconductors (DMS).
Download or read book Structural Properties of Titanium Dioxide Films for Dye sensitized Solar Cells written by Tulsi Patel and published by . This book was released on 2014 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Trends in Materials and Devices written by Vinod Kumar Jain and published by Springer. This book was released on 2016-10-20 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the proceedings of the International Conference on Recent Trends in Materials and Devices, which was conceived as a major contribution to large-scale efforts to foster Indian research and development in the field in close collaboration with the community of non-resident Indian researchers from all over the world. The research articles collected in this volume - selected from among the submissions for their intrinsic quality and originality, as well as for their potential value for further collaborations - document and report on a wide range of recent and significant results for various applications and scientific developments in the areas of Materials and Devices. The technical sessions covered include photovoltaics and energy storage, semiconductor materials and devices, sensors, smart and polymeric materials, optoelectronics, nanotechnology and nanomaterials, MEMS and NEMS, as well as emerging technologies.
Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching and published by OUP Oxford. This book was released on 2012-05-17 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Download or read book TiO2 Nanoparticles written by Aiguo Wu and published by John Wiley & Sons. This book was released on 2020-06-02 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique book that summarizes the properties, toxicology, and biomedical applications of TiO2-based nanoparticles Nanotechnology is becoming increasingly important for products used in our daily lives. Nanometer-sized titanium dioxide (TiO2) are widely used in industry for different purposes, such as painting, sunscreen, printing, cosmetics, biomedicine, and so on. This book summarizes the advances of TiO2 based nanobiotechnology and nanomedicine, covering materials properties, toxicological research, and biomedical application, such as antibacter, biosensing, and cancer theranostics. It uniquely integrates the TiO2 applications from physical properties, toxicology to various biomedical applications, and includes black TiO2 based cancer theranostics. Beginning with a comprehensive introduction to the properties and applications of nanoparticles, TiO2 Nanoparticles: Applications in Nanobiotechnology, Theranostics and Nanomedicine offers chapters on: Toxicity of TiO2 Nanoparticles; Antibacterial Applications of TiO2 Nanoparticles; Surface Enhanced Raman Spectrum of TiO2 Nanoparticle for Biosensing (TiO2 Nanoparticle Served as SERS Sensing Substrate); TiO2 as Inorganic Photosensitizer for Photodynamic Therapy; Cancer Theranostics of Black TiO2 Nanoparticles; and Neurodegenerative Disease Diagnostics and Therapy of TiO2-Based Nanoparticles. This title: -Blends the physical properties, toxicology of TiO2 nanoparticles to the many biomedical applications -Includes black TiO2 based cancer theranostics in its coverage -Appeals to a broad audience of researchers in academia and industry working on nanomaterials-based biosensing, drug delivery, nanomedicine TiO2 Nanoparticles: Applications in Nanobiotechnology, Theranostics and Nanomedicine is an ideal book for medicinal chemists, analytical chemists, biochemists, materials scientists, toxicologists, and those in the pharmaceutical industry.
Download or read book Chemically Deposited Nanocrystalline Metal Oxide Thin Films written by Fabian I. Ezema and published by Springer Nature. This book was released on 2021-06-26 with total page 926 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book guides beginners in the areas of thin film preparation, characterization, and device making, while providing insight into these areas for experts. As chemically deposited metal oxides are currently gaining attention in development of devices such as solar cells, supercapacitors, batteries, sensors, etc., the book illustrates how the chemical deposition route is emerging as a relatively inexpensive, simple, and convenient solution for large area deposition. The advancement in the nanostructured materials for the development of devices is fully discussed.
Download or read book DFT based Theoretical Simulations for Photocatalytic Applications Using TiO2 written by Yeliz Gurdal and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: TiO2 has been shown to be a potential candidate for photoinitiated processes, such as dye sensitized solar cells and water splitting in production of H2. The large band gap of TiO2 can be reduced by functionalizing the oxide by adsorbing dye molecules and/or water reduction/oxidation catalysts, by metal/nonmetal doping, and by mixing with another oxide. Due to these methods, several different TiO2-based complexes can be constructed having different geometries, electronic structures, and optical characteristics. It is practically impossible to test the photocatalytic activity of all possible TiO2-based complexes using only experimental techniques. Instead, density functional theory (DFT)-based theoretical simulations can easily guide experimental studies by screening materials and providing insights into the photoactivity of the complexes. The aim of this chapter is to provide an outlook for current research on DFT-based simulations of TiO2 complexes for dye sensitized solar cells and water splitting applications and to address challenges of theoretical simulations.
Download or read book Effect of N and Fe Codoping on the Electronic Structure and Optical Properties of TiO2 from First principles Study Project Supported by the National Natural Science Foundation of China No 11005050 and the Graduate Innovation Project of Jiangsu Province No SJLX 0517 written by and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: The electronic structure and optical properties of N and Fe codoping TiO2 have been investigated by first-principles calculations based on density functional theory. The calculated results indicate that the stability of N and Fe codoping TiO2 will change at different substitutional sites of N and Fe. The mechanism of band gap narrowing of doping TiO2 is discussed by investigating the density of state. The different substitutional site of N and Fe in codoping TiO2 influences the visible-light absorption. An increased visible-light absorption for doping TiO2 results from the synergistic effect of N and Fe codoping. Therefore, N and Fe codoping may enhance the visible-light photocatalytic activity of TiO2 .
Download or read book Hybrid Organic Inorganic Perovskites written by Li Wei and published by John Wiley & Sons. This book was released on 2020-10-19 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hybrid organic-inorganic perovskites (HOIPs) have attracted substantial interest due to their chemical variability, structural diversity and favorable physical properties the past decade. This materials class encompasses other important families such as formates, azides, dicyanamides, cyanides and dicyanometallates. The book summarizes the chemical variability and structural diversity of all known hybrid organic-inorganic perovskites subclasses including halides, azides, formates, dicyanamides, cyanides and dicyanometallates. It also presents a comprehensive account of their intriguing physical properties, including photovoltaic, optoelectronic, dielectric, magnetic, ferroelectric, ferroelastic and multiferroic properties. Moreover, the current challenges and future opportunities in this exciting field are also been discussed. This timely book shows the readers a complete landscape of hybrid organic-inorganic pervoskites and associated multifuctionalities.
Download or read book EFFECTS OF HEAT TREATMENT CONDITIONS ON MORPHOLOGY OPTICAL PROPERTIES AND PERFORMANCE OF TiO2 IN DYE SENSITIZED SOLAR CELLS written by and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract : This study primarily focuses on the synergistic effect between anatase and rutile in the photoanode of dye-sensitized solar cells (DSC), which was evaluated by tuning their phase ratio and crystallite size within the TiO2 photoanode via adjusting the sintering temperature and atmosphere. Hydrogenation of TiO2 powder was performed to increase visible light absorption to compare with air treated powders. Characterization of heat treated powders was performed using XRD, FE-SEM, S-TEM, BET, UV-vis, Fluorescence spectroscopy, and electrochemical I-V testing. The synergistic effect was effectively promoted in air treated TiO2 but was not observed using hydrogenation conditions. The highest energy conversion efficiency of 7.1% was found to occur with the photoanode sintered in air at 600°C for 2 hours, which possessed a crystallite size of 24.4 nm for anatase and 42.0 nm for rutile with 19.4 wt. % rutile. The highest efficiency obtained using hydrogenated TiO2 was 6.3% with morphology similar to the baseline P25 TiO2 which possessed a crystallite size of 21.4 nm for anatase and 36.4 nm for rutile with 11.6 wt. % rutile. Increased hydrogenation temperature resulted in decreased photovoltaic performance due to vacancy induced recombination centers and deteriorated phase junctions, despite increased visible light absorption measured in UV-vis. Hydrogenation was shown to significantly increase transformation rate of anatase to rutile and crystal growth beyond the transition temperature due to reduced crystal rigidity.
Download or read book Optical Properties Electronic Structures and High Pressure Study of Nanostructured One Dimensional Titanium Dioxide by Synchrotron Radiation and Spectroscopy written by Ankang Zhao and published by . This book was released on 2013 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: One dimensional (1D) titanium dioxide (TiO2) nanomaterials have been extensively studied in recent years due to their superior electrical, optical mechanical and chemical properties compared with their bulk counterparts. Two different kinds of 1D TiO2 nanomaterials, TiO2 nanowires (TiO2 NW) and TiO2 nanotubes (TiO2 NT), are studied in this thesis by using various techniques. In one study, TiO2 NW synthesized by hydrothermal method and a series of calcinated TiO2 NW were investigated by using absorption near edge structures (XANES), X-ray diffraction (XRD) and X-ray excited optical luminescence (XEOL). It is found that TiO2 NW as synthesized undergo a phase transition under calcination: TiO2-B phase transformed to anatase phase and then to rutile phase. Moreover, a green photoluminescence (PL) started showing up at a wavelength of 470 nm at 650 °C, then shifts to 550 nm at 750 °C and finally at 1000 °C the green PL disappears and near infrared (IR) PL was observed. Also optical behaviours are consistent with the phase transformation sequence. The green PL at 550 nm and near IR PL at 830 nm is attributed to oxygen vacancies of anatase phase and the bulk defects of rutile phase respectively. However, a new phenomenon is observed, the green PL observed at 470 nm. Considering this green PL is consistent with the presence of the TiO2-B phase, it is proposed that the green PL at 470 is due to the TiO2-B phase. In another study, the high-pressure behaviour of anatase TiO2 NT is studied using Raman and synchrotron X-ray diffraction at increasing pressure up to 31.1 GPa. Upon compression, anatase phase directly transforms to baddeleyite phase at ̃12.2 GPa, Besides, we found in the compression of anatase phase, (1) a higher compressibility along c-axis is observed compared to a-axis, which may be due to crystal structure and growth direction of TiO2 NT, and (2) and the bulk modulus is 164 GPa which is much lower than that of other TiO2 nanomaterials. Upon decompression, the -PbO2 phase is retrieved at ambient pressure and a compression-decompression cycle is finished. These results indicate that the 1D morphology of TiO2 NT may be responsible for its high-pressure transition and bulk modulus.
Download or read book Updates on Titanium Dioxide written by Bochra Bejaoui and published by BoD – Books on Demand. This book was released on 2023-08-30 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: Titanium dioxide (TiO2) has received a lot of attention due to its inexpensive cost, benign nature, and great photocatalytic potential. TiO2 has numerous applications, including in photocatalysts, Li-ion batteries, solar cells, and medical research. However, its performance is unsatisfactory due to a variety of issues, including a wide band gap (3.01 to 3.2 eV) and quick electron–hole pair recombination (1012 to 1011 s). Many efforts have been made to improve the qualities of TiO2, such as structural and dopant changes, which expand its applications. This book focuses on the properties of TiO2-modified nanoparticles, including their synthesis, alterations, and applications.
Download or read book Structural and Optical Properties of Transition Metal Doped TiO2 Nanoparticles written by Hari P. Lamsal and published by . This book was released on 2015 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Density Functional Theory Study of TiO2 Brookite 100 110 and 210 Surfaces Doped with Ruthenium RU and Platinum Pt for Application in Dye Sensitized Solar Cell written by Ratshilumela Steve Dima and published by . This book was released on 2017 with total page 154 pages. Available in PDF, EPUB and Kindle. Book excerpt:
