Interactions chromophore-substrat dans les matériaux hybrides PDF Download
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Author: Pierre-André Cazade
Publisher:
ISBN:
Category :
Languages : fr
Pages : 322
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Book Description
Ce travail est une approche associant la caractérisation par spectroscopie UV-visible et la modélisation en chimie quantique et en dynamique moléculaire classique pour l’étude de la photodynamique des matériaux hybrides. Il a permis l’interprétation de l’ensemble du spectre d’absorption du 9,10-dicyanoanthracène (DCA), ainsi que la formation d’un agrégat présentant deux conformations. Un examen appronfondi des spectres de fluorescence des matériaux hybrides fortement dopés en colorant met en évidence les limites de cette technique – artéfacts de fluorescence – pour des échantillons optiquement épais. L’étude du dimère de DCA par recuits simulés en dynamique moléculaire classique, confirme l’existence de seulement deux conformations pour cette espèce dans le vide. Le calcul du potentiel de force moyenne, qui donne accès à l’énergie libre de dissociation du dimère, indique des stabilités relatives en solution en bon accord avec les données expérimentales. Ce travail a permis la mise au point d’un modèle du DCA et d’un champ de forces décrivant une silice hydrophobe. Des développements dans le code DL_POLY ont en outre été réalisés, tels que la décomposition de l’énergie totale du système en contributions propres à chaque sous-sytème, la simulation d’une transition électronique et le calcul de l’énergie libre au moyen de l’intégration thermodynamique.
Author: Pierre-André Cazade
Publisher:
ISBN:
Category :
Languages : fr
Pages : 322
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Book Description
Ce travail est une approche associant la caractérisation par spectroscopie UV-visible et la modélisation en chimie quantique et en dynamique moléculaire classique pour l’étude de la photodynamique des matériaux hybrides. Il a permis l’interprétation de l’ensemble du spectre d’absorption du 9,10-dicyanoanthracène (DCA), ainsi que la formation d’un agrégat présentant deux conformations. Un examen appronfondi des spectres de fluorescence des matériaux hybrides fortement dopés en colorant met en évidence les limites de cette technique – artéfacts de fluorescence – pour des échantillons optiquement épais. L’étude du dimère de DCA par recuits simulés en dynamique moléculaire classique, confirme l’existence de seulement deux conformations pour cette espèce dans le vide. Le calcul du potentiel de force moyenne, qui donne accès à l’énergie libre de dissociation du dimère, indique des stabilités relatives en solution en bon accord avec les données expérimentales. Ce travail a permis la mise au point d’un modèle du DCA et d’un champ de forces décrivant une silice hydrophobe. Des développements dans le code DL_POLY ont en outre été réalisés, tels que la décomposition de l’énergie totale du système en contributions propres à chaque sous-sytème, la simulation d’une transition électronique et le calcul de l’énergie libre au moyen de l’intégration thermodynamique.
Author: Sergey V. Dorozhkin
Publisher: CRC Press
ISBN: 9814364177
Category : Science
Languages : en
Pages : 863
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Book Description
Due to a great chemical similarity with the biological calcified tissues, many calcium orthophosphates possess remarkable biocompatibility and bioactivity. Materials scientists use this property extensively to construct artificial bone grafts that are either entirely made of or only surface-coated with the biologically relevant calcium orthophospha
Author: Guglielmo Lanzani
Publisher: John Wiley & Sons
ISBN: 3527607390
Category : Science
Languages : en
Pages : 600
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Book Description
Carbon based pi-conjugated materials offer a broad range of applications, going from molecular electronics and single molecule devices to nanotechnology, plastic electronics and optoelectronics. The proper physical description of such materials is in between that of molecular solids and that of low-dimensional covalent semiconductors. This book is a comprehensive review of their elementary excitations processes and dynamics, which merges the two viewpoints, sometimes very different if not contrasting. In each chapter, a broad tutorial introduction provides a solid physical background to the topic, which is further discussed based on recent experimental results obtained via state-of-the-art techniques. Both the molecular, intra-chain character and the solid state, inter-molecular physics is addressed. Reports on single molecule and single polymer chain spectroscopy introduce the on-site phenomena. Several chapters are dedicated to nano-probes, steady state and transient spectroscopies. The highly ordered state, occurring in single crystals, is also discussed thoroughly. Finally, less conventional tools such as THz spectroscopy are discussed in detail. The book provides a useful introduction to the field for newcomers, and a valid reference for experienced researchers in the field.
Author: Silvia Diez-Gonzalez
Publisher: Royal Society of Chemistry
ISBN: 1782626816
Category : Science
Languages : en
Pages : 637
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Book Description
In less than 20 years N-heterocyclic carbenes (NHCs) have become well-established ancillary ligands for the preparation of transition metal-based catalysts. This is mainly due to the fact that NHCs tend to bind strongly to metal centres, avoiding the need of excess ligand in catalytic reactions. Also, NHC‒metal complexes are often insensitive to air and moisture, and have proven remarkably resistant to oxidation. This book showcases the wide variety of applications of NHCs in different chemistry fields beyond being simple phosphine mimics. This second edition has been updated throughout, and now includes a new chapter on NHC‒main group element complexes. It covers the synthesis of NHC ligands and their corresponding metal complexes, as well as their bonding and stereoelectronic properties and applications in catalysis. This is complemented by related topics such as organocatalysis and biologically active complexes. Written for organic and inorganic chemists, this book is ideal for postgraduates, researchers and industrialists.
Author: David R. Waring
Publisher: Springer Science & Business Media
ISBN: 1468477153
Category : Science
Languages : en
Pages : 423
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Book Description
It is particularly appropriate that a volume concerned with dye chemistry should be included in the series Topics in Applied Chemistry. The development of the dye industry has been inexorably linked not only with the development of the chemical industry but also with organic chemistry itself since the middle of the last century. The position of dye chemistry at the forefront of chemical 1945 and more markedly so during the last advance has declined somewhat since 15 years, with pharmaceutical and medicinal chemistry assuming an increasingly prominent position. Nevertheless, dye production still accounts for a significant portion of the business of most major chemical companies. The field of dye chemistry has stimulated the publication of many books over the years but surprisingly few have concentrated on or even included the practical aspects of dye synthesis and application. Thus, the present volume is designed to fulfill that need and provide the reader with an account of advances in dye chemistry, concentrating on more recent work and giving, in a single volume, synthetic detail and methods of application of the most important classes, information which will be invaluable to both student and research chemist alike.
Author: Jerôme Bibette
Publisher: Springer
ISBN: 3540708200
Category : Technology & Engineering
Languages : en
Pages : 148
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Book Description
Emulsions occur either as end products or during the processing of products in a huge range of areas including the food, agrochemical, pharmaceuticals, paints and oil industries. As end products, emulsions allow to avoid organic solvent in processing hydrophobic coatings. Emulsion technology is a suitable approach to vehicle viscous phases. It is also a remarkable mean of targeting actives or capturing specific species. The range of applications of emulsions progresses and their manufacturing becomes more and more sophisticated. Besides this broad domain of technological interest, emulsions are raising a variety of fundamental questions at the frontier between physic and chem istry. Indeed, as a class of soft colloidal materials, emulsions science is linked to various aspects of these disciplines: phase transitions, surface forces and wetting, metastability and hydrodynamic instabilities, mechanical properties and flow. The aim of this book is to review the main important concepts governing emulsion science. In Chapter 2, repulsive interactions between liquid films are discussed as well as adhesive interaction related to wetting. In Chap ter 3, consequences of weak and strong attractions are presented, related to the well accepted liquid solid transition analogy. In Chapter 4, the basics of both bulk compressibility and shear elasticity are presented, the role of disorder being the most important aspect of the elastic behavior of these soft systems. In Chapter 5 the central question of the emulsion lifetime related to metastability is discussed.
Author: Maurizio Peruzzini
Publisher: Springer Science & Business Media
ISBN: 9048138175
Category : Science
Languages : en
Pages : 477
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Book Description
Each chapter of Phosphorus Compounds: Advanced Tools in Catalysis and Material Sciences have been carefully selected by the editors in order to represent a state-of-the-art overview of how phosphorus chemistry can provide solutions in various fields of applications. The editors have assembled an international array of world-renowned scientists and each chapter is written by experts in the fields of synthetic chemistry, homogeneous catalysis, dendrimers, theoretical calculations, materials science, and medicinal chemistry with a special focus on the chemistry of phosphorus compounds. Phosphorus Compounds: Advanced Tools in Catalysis and Material Sciences is of interest to a general readership ranging from advanced university course students to experts in academia and industry.
Author: Dimo Kashchiev
Publisher: Elsevier
ISBN: 0080537839
Category : Technology & Engineering
Languages : en
Pages : 551
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Book Description
This book represents a detailed and systematic account of the basic principles, developments and applications of the theory of nucleation. The formation of new phases begins with the process of nucleation and is, therefore, a widely spread phenomenon in both nature and technology. Condensation and evaporation, crystal growth, electrodeposition, melt crystallization, growth of thin films for microelectronics, volcano eruption and formation of particulate matter in space are only a few of the processes in which nucleation plays a prominent role. The book has four parts, which are devoted to the thermodynamics of nucleation, the kinetics of nucleation, the effect of various factors on nucleation and the application of the theory to other processes, which involve nucleation. The first two parts describe in detail the two basic approaches in nucleation theory - the thermodynamic and the kinetic ones. They contain derivations of the basic and most important formulae of the theory and discuss their limitations and possibilities for improvement. The third part deals with some of the factors that can affect nucleation and is a natural continuation of the first two chapters. The last part is devoted to the application of the theory to processes of practical importance such as melt crystallization and polymorphic transformation, crystal growth and growth of thin solid films, size distribution of droplets and crystallites in condensation and crystallization. The book is not just an account of the status quo in nucleation theory - throughout the book there are a number of new results as well as extensions and generalisations of existing ones.
Author: Alagarsamy Pandikumar
Publisher: Elsevier
ISBN: 0128230347
Category : Technology & Engineering
Languages : en
Pages : 570
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Book Description
Nanoscale Graphitic Carbon Nitride focuses on multi-functional applications including energy conversion, storage and healthcare. Polymeric graphitic carbon nitride materials have attracted much attention in recent years because of their similarity to graphene. They are composed of carbon, nitrogen and some minor hydrogen content. In contrast to graphene, g-Graphitic carbon nitride is a medium band-gap semiconductor and in that role an effective photocatalyst and chemical catalyst for a broad variety of reactions and applications. This book covers the fundamentals and applications of graphitic carbon nitride (g-C3N4) in different sectors. It also covers the application of graphitic carbon nitride-based composites with metal, metal oxides, metal sulphide and carbon-based materials. This is an important resource for researchers in the fields of materials science, engineering, energy storage and chemical engineering who want to understand how nanoscale graphitic carbon nitride is being used for a range of industrial applications and processes. Outlines the major properties of nanoscale graphitic carbon nitride, along with their major application areas Assesses the challenges of manufacturing graphitic carbon nitride on a mass scale Explains major synthesis methods for nanoscale graphitic carbon nitride
Author: Agnes Buka
Publisher: World Scientific
ISBN: 1848167997
Category : Science
Languages : en
Pages : 299
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Book Description
The book intends to give a state-of-the-art overview of flexoelectricity, a linear physical coupling between mechanical (orientational) deformations and electric polarization, which is specific to systems with orientational order, such as liquid crystals. Chapters written by experts in the field shed light on theoretical as well as experimental aspects of research carried out since the discovery of flexoelectricity. Besides a common macroscopic (continuum) description the microscopic theory of flexoelectricity is also addressed. Electro-optic effects due to or modified by flexoelectricity as well as various (direct and indirect) measurement methods are discussed. Special emphasis is given to the role of flexoelectricity in pattern-forming instabilities. While the main focus of the book lies in flexoelectricity in nematic liquid crystals, peculiarities of other mesophases (bent-core systems, cholesterics, and smectics) are also reviewed. Flexoelectricity has relevance to biological (living) systems and can also offer possibilities for technical applications. The basics of these two interdisciplinary fields are also summarized.
