Download or read book Modeling of Complex Interfaces From Surface Chemistry to Nano Chemistry written by Frederik Tielens and published by MDPI. This book was released on 2020-12-02 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the interdisciplinary field of interface chemistry modelling across a wide range of academic disciplines and industry sectors. Ten original research articles are presented that bridge knowledge acquisition and practical work, providing a starting point for the research and development of applications. The book describes the characterization of interfaces at the nanoscale, using a wide range of key nanomaterials, such as graphene, TiO2, zeolites, semimetals, and organic polymers; and the study of their different physical chemical properties, such as catalysis, adsorption, friction, diffusion, and the characterization of nanocomposites and heterojunctions, with many different industrial applications. The resulting collection of papers is equally relevant for advanced students (senior and graduate) and for engineers and scientists from a variety of different academic backgrounds working in the multidisciplinary field of nanotechnology.
Download or read book Interfacial Nanochemistry written by Hitoshi Watarai and published by Springer Science & Business Media. This book was released on 2005-01-14 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to feature interfacial nanochemistry of liquid/liquid interfaces, which is a new boundary field between analytical chemistry, colloid and surface chemistry, electrochemistry, laser spectroscopy, separation engineering, and interfacial organic synthesis. The liquid/liquid interface is a very general subject of interest both to pure and industrial chemists, especially those engaged in research on solvent extraction of metal ion and organic compounds, interfacial synthesis, and micro-scale analysis. This book will give them deep insight into the nature of the liquid/liquid interface and what kind of reactions can take place there.
Download or read book Nano Surface Chemistry written by Morton Rosoff and published by CRC Press. This book was released on 2001-09-27 with total page 691 pages. Available in PDF, EPUB and Kindle. Book excerpt: Containing more than 2600 references and over 550 equations, drawings, tables, photographs, and micrographs, This book describes hierarchical assemblies in biology and biological processes that occur at the nanoscale across membranes and at interfaces. It covers recurrent themes in nanocolloid science, including self-assembly, construction of supramolecular architecture, nanoconfinement and compartmentalization, measurement and control of interfacial forces, novel synthetic materials, and computer simulation. The authors reviews surface forces apparatus measurements of two-dimensional organized ensembles at solid-liquid interfaces.
Download or read book Chemistry of Functional Materials Surfaces and Interfaces written by Andrei Honciuc and published by Elsevier. This book was released on 2021-02-19 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry of Functional Materials Surfaces and Interfaces: Fundamentals and Applications gives a descriptive account of interfacial phenomena step-by-step, from simple to complex, to provide readers with a strong foundation of knowledge in interfacial materials chemistry. Many case studies are provided to give real-world examples of problems and their solutions, allowing readers to make the connection between fundamental understanding and applications. Emerging applications in nanomaterials and nanotechnology are also discussed. Throughout the book, the author explains the common interface and surface equations, models, methods, and applications in the creation of functional materials. The goal of Chemistry of Functional Materials Surfaces and Interfaces is to provide readers with the basic understanding of the common tools of surface and interface chemistry for application in materials science and nanotechnology. This book is suitable for researchers and practitioners in the disciplines of materials science and engineering and surface and interface chemistry. Includes numerous real-world examples and case studies throughout Addresses emerging applications of interfacial materials chemistry in nanomaterials and nanotechnology Provides the foundational concepts of surface and interfacial science with models, equation, and methods
Download or read book Chemical Bonding at Surfaces and Interfaces written by Anders Nilsson and published by Elsevier. This book was released on 2011-08-11 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces
Download or read book Mesoscale Modeling in Chemical Engineering written by and published by Academic Press. This book was released on 2016-02-16 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mesoscale Modeling in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides the reader with personal views of authorities in the field. Subjects covered are not limited to the classical chemical engineering disciplines, with contributions connecting chemical engineering to related scientific fields, thus providing new ideas for additional thought. The book balances well developed areas such as process industry, transformation of materials, energy, and environmental issues with areas where applications of chemical engineering are more recent or emerging. Contains reviews by leading authorities in the respective areas Presents Up-to-date reviews of latest techniques in modeling of catalytic processes Includes a mix of US and European authors, as well as academic/industrial/research institute perspectives Contains the critical connections between computation and experimental methods
Download or read book Encyclopedia of Interfacial Chemistry written by and published by Elsevier. This book was released on 2018-03-29 with total page 5276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Download or read book Liquid Interfaces In Chemical Biological And Pharmaceutical Applications written by Alexander G. Volkov and published by CRC Press. This book was released on 2001-01-30 with total page 878 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a comprehensive treatment of surface chemistry and its applications to chemical engineering, biology, and medicine. Focuses on the chmical and physical structure of oil-water interfaces and membrane surfaces. Details interfacial potentials, ion solvation, and electrostatic instabilities in double layers.
Download or read book Catalysis by Materials with Well Defined Structures written by Zili Wu and published by Academic Press. This book was released on 2015-03-26 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis by Materials with Well-Defined Structures examines the latest developments in the use of model systems in fundamental catalytic science. A team of prominent experts provides authoritative, first-hand information, helping readers better understand heterogeneous catalysis by utilizing model catalysts based on uniformly nanostructured materials. The text addresses topics and issues related to material synthesis, characterization, catalytic reactions, surface chemistry, mechanism, and theoretical modeling, and features a comprehensive review of recent advances in catalytic studies on nanomaterials with well-defined structures, including nanoshaped metals and metal oxides, nanoclusters, and single sites in the areas of heterogeneous thermal catalysis, photocatalysis, and electrocatalysis. Users will find this book to be an invaluable, authoritative source of information for both the surface scientist and the catalysis practitioner Outlines the importance of nanomaterials and their potential as catalysts Provides detailed information on synthesis and characterization of nanomaterials with well-defined structures, relating surface activity to catalytic activity Details how to establish the structure-catalysis relationship and how to reveal the surface chemistry and surface structure of catalysts Offers examples on various in situ characterization instrumental techniques Includes in-depth theoretical modeling utilizing advanced Density Functional Theory (DFT) methods
Download or read book Nanomaterials Design and Simulation written by Perla Balbuena and published by Elsevier. This book was released on 2006-11-02 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally. * Provides an overview of approaches that have been developed for designing nano-structured or molecularly-structured materials. * This volume covers several aspects of the simulation and design of nanomaterials analyzed by a selected group of active researchers in the field. * Looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties
Download or read book Self Assembled Organic Inorganic Nanostructures written by Christian von Borczyskowski and published by CRC Press. This book was released on 2017-03-27 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: The current state and perspectives in natural and life sciences are strongly linked to the development of novel complex organic-inorganic materials at various levels of organization, including semiconductor quantum dots (QDs) and QD-based nanostructures with unique optical and physico-chemical properties. This book provides a comprehensive description of the morphology and main physico-chemical properties of self-assembled inorganic-dye nanostructures as well as some applications in the field of nanotechnology. It crosses disciplines to examine essential nanoassembly principles of QD interaction with organic molecules, excited state dynamics in nanoobjects, theoretical models, and methodologies. Based on ensemble and single-nanoobject detection, the book quantitatively shows (for the first time on a series of nanoassemblies) that surface-mediated processes (formation of trap states) dictate the probability of several of the most interesting and potentially useful photophysical phenomena (FRET- or non-FRET-induced quenching of QD photoluminescence) observed for colloidal QDs and QD–dye nanoassemblies. Further, nanostructures can be generated by nanolithography and thereafter selectively decorated with dye molecules. A similar approach applies to natural nanosized surface heterogeneities.
Download or read book Quantum Mechanical Molecular Mechanical Approaches for the Investigation of Chemical Systems Recent Developments and Advanced Applications written by Thomas S. Hofer and published by Frontiers Media SA. This book was released on 2018-11-28 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: The QM/MM method, short for quantum mechanical/molecular mechanical, is a highly versatile approach for the study of chemical phenomena, combining the accuracy of quantum chemistry to describe the region of interest with the efficiency of molecular mechanical potentials to represent the remaining part of the system. Originally conceived in the 1970s by the influential work of the the Nobel laureates Martin Karplus, Michael Levitt and Arieh Warshel, QM/MM techniques have evolved into one of the most accurate and general approaches to investigate the properties of chemical systems via computational methods. Whereas the first applications have been focused on studies of organic and biomolecular systems, a large variety of QM/MM implementations have been developed over the last decades, extending the range of applicability to address research questions relevant for both solution and solid-state chemistry as well. Despite approaching their 50th anniversary in 2022, the formulation of improved QM/MM methods is still an active field of research, with the aim to (i) extend the applicability to address an even broader range of research questions in chemistry and related disciplines, and (ii) further push the accuracy achieved in the QM/MM description beyond that of established formulations. While being a highly successful approach on its own, the combination of the QM/MM strategy with other established theoretical techniques greatly extends the capabilities of the computational approaches. For instance the integration of a suitable QM/MM technique into the highly successful Monte-Carlo and molecular dynamics simulation protocols enables the description of the chemical systems on the basis of an ensemble that is in part constructed on a quantum-mechanical basis. This eBook presents the contributions of a recent Research Topic published in Frontiers in Chemistry, that highlight novel approaches as well as advanced applications of QM/MM method to a broad variety of targets. In total 2 review articles and 10 original research contributions from 48 authors are presented, covering 12 different countries on four continents. The range of research questions addressed by the individual contributions provide a lucid overview on the versatility of the QM/MM method, and demonstrate the general applicability and accuracy that can be achieved for different problems in chemical sciences. Together with the development of improved algorithms to enhance the capabilities of quantum chemical methods and the continuous advancement in the capacities of computational resources, it can be expected that the impact of QM/MM methods in chemical sciences will be further increased already in the near future.
Download or read book New Research on Solid State Chemistry written by James B. Veliotti and published by Nova Publishers. This book was released on 2007 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book on solid state chemistry presents studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids. Research areas include: bonding in solids, crystal chemistry, crystal growth mechanisms, diffusion epitaxy, high-pressure processes, magnetic properties of materials, optical characterisation of materials, order-disorder, phase equilibria and transformation mechanisms, reactions at surfaces, statistical mechanics of defect interactions, structural studies and transport phenomena.
Download or read book Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer written by Ilia A. Solov’yov and published by Springer. This book was released on 2017-05-16 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer’s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).
Download or read book Nanochemistry written by Ashutosh Sharma and published by CRC Press. This book was released on 2023-02-24 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book encompasses the fundamental concepts of Nanochemistry that involve the self-assemblage of nanostructures, surface stabilization, and functionalization of nanoparticles. It’s a review of the work of world-renowned scientists and is the first of its kind that gives a detailed fundamental understanding of physical, chemical, and biological methods of nanoparticle synthesis. There is a comprehension of different characterization techniques of nanoparticles. This book, for the first time, explains applications of such nanochemicals in nanomedicine, nanoimmunomedicine, lab-on-a-chip, organ-on-a-chip, bioimplants, cyborgs, hydrogen storage, electrochemical splitting of water, and construction industries.
Download or read book Chemical Physics of Thin Film Deposition Processes for Micro and Nano Technologies written by Y. Pauleau and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: An up-to-date collection of tutorial papers on the latest advances in the deposition and growth of thin films for micro and nano technologies. The emphasis is on fundamental aspects, principles and applications of deposition techniques used for the fabrication of micro and nano devices. The deposition of thin films is described, emphasising the gas phase and surface chemistry and its effects on the growth rates and properties of films. Gas-phase phenomena, surface chemistry, growth mechanisms and the modelling of deposition processes are thoroughly described and discussed to provide a clear understanding of the growth of thin films and microstructures via thermally activated, laser induced, photon assisted, ion beam assisted, and plasma enhanced vapour deposition processes. A handbook for engineers and scientists and an introduction for students of microelectronics.
Download or read book Publications Combined Over 100 Studies In Nanotechnology With Medical Military And Industrial Applications 2008 2017 written by and published by Jeffrey Frank Jones. This book was released on with total page 7322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over 7,300 total pages ... Just a sample of the contents: Title : Multifunctional Nanotechnology Research Descriptive Note : Technical Report,01 Jan 2015,31 Jan 2016 Title : Preparation of Solvent-Dispersible Graphene and its Application to Nanocomposites Descriptive Note : Technical Report Title : Improvements To Micro Contact Performance And Reliability Descriptive Note : Technical Report Title : Delivery of Nanotethered Therapies to Brain Metastases of Primary Breast Cancer Using a Cellular Trojan Horse Descriptive Note : Technical Report,15 Sep 2013,14 Sep 2016 Title : Nanotechnology-Based Detection of Novel microRNAs for Early Diagnosis of Prostate Cancer Descriptive Note : Technical Report,15 Jul 2016,14 Jul 2017 Title : A Federal Vision for Future Computing: A Nanotechnology-Inspired Grand Challenge Descriptive Note : Technical Report Title : Quantifying Nanoparticle Release from Nanotechnology: Scientific Operating Procedure Series: SOP C 3 Descriptive Note : Technical Report Title : Synthesis, Characterization And Modeling Of Functionally Graded Multifunctional Hybrid Composites For Extreme Environments Descriptive Note : Technical Report,15 Sep 2009,14 Mar 2015 Title : Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory Descriptive Note : Technical Report Title : Nanotechnology for the Solid Waste Reduction of Military Food Packaging Descriptive Note : Technical Report,01 Apr 2008,01 Jan 2015 Title : Magneto-Electric Conversion of Optical Energy to Electricity Descriptive Note : Final performance rept. 1 Apr 2012-31 Mar 2015 Title : Surface Area Analysis Using the Brunauer-Emmett-Teller (BET) Method: Standard Operating Procedure Series: SOP-C Descriptive Note : Technical Report,30 Sep 2015,30 Sep 2016 Title : Stabilizing Protein Effects on the Pressure Sensitivity of Fluorescent Gold Nanoclusters Descriptive Note : Technical Report Title : Theory-Guided Innovation of Noncarbon Two-Dimensional Nanomaterials Descriptive Note : Technical Report,14 Feb 2012,14 Feb 2016 Title : Deterring Emergent Technologies Descriptive Note : Journal Article Title : The Human Domain and the Future of Army Warfare: Present as Prelude to 2050 Descriptive Note : Technical Report Title : Drone Swarms Descriptive Note : Technical Report,06 Jul 2016,25 May 2017 Title : OFFSETTING TOMORROW'S ADVERSARY IN A CONTESTED ENVIRONMENT: DEFENDING EXPEDITIONARY ADVANCE BASES IN 2025 AND BEYOND Descriptive Note : Technical Report Title : A Self Sustaining Solar-Bio-Nano Based Wastewater Treatment System for Forward Operating Bases Descriptive Note : Technical Report,01 Feb 2012,31 Aug 2017 Title : Radiation Hard and Self Healing Substrate Agnostic Nanocrystalline ZnO Thin Film Electronics Descriptive Note : Technical Report,26 Sep 2011,25 Sep 2015 Title : Modeling and Experiments with Carbon Nanotubes for Applications in High Performance Circuits Descriptive Note : Technical Report Title : Radiation Hard and Self Healing Substrate Agnostic Nanocrystalline ZnO Thin Film Electronics (Per5 E) Descriptive Note : Technical Report,01 Oct 2011,28 Jun 2017 Title : High Thermal Conductivity Carbon Nanomaterials for Improved Thermal Management in Armament Composites Descriptive Note : Technical Report Title : Emerging Science and Technology Trends: 2017-2047 Descriptive Note : Technical Report Title : Catalysts for Lightweight Solar Fuels Generation Descriptive Note : Technical Report,01 Feb 2013,31 Jan 2017 Title : Integrated Real-Time Control and Imaging System for Microbiorobotics and Nanobiostructures Descriptive Note : Technical Report,01 Aug 2013,31 Jul 2014
