Computational Studies of Transition Metal Nanoalloys PDF Download
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Author: Lauro Oliver Paz Borbón
Publisher: Springer Science & Business Media
ISBN: 3642180124
Category : Science
Languages : en
Pages : 162
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Book Description
The focus of this thesis is the computational modelling of transition metal bimetallic (nanoalloy) clusters. More specifically, the study of Pd-Pt, Ag-Pt, Au-Au and Pd-Au as a few tens of atoms in the gas phase. The author used a combination of global optimization techniques - coupled with a Gupta-type empirical many-body potential - and Density Functional Theory (DFT) calculations to study the structures, bonding and chemical ordering, as well as investigate the chemisorptions of hydrogen and carbon monoxide on bimetallic clusters. This research is highly relevant to experimental catalytic studies and has resulted in more than seven publications in international journals.
Author: Lauro Oliver Paz Borbón
Publisher: Springer Science & Business Media
ISBN: 3642180124
Category : Science
Languages : en
Pages : 162
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Book Description
The focus of this thesis is the computational modelling of transition metal bimetallic (nanoalloy) clusters. More specifically, the study of Pd-Pt, Ag-Pt, Au-Au and Pd-Au as a few tens of atoms in the gas phase. The author used a combination of global optimization techniques - coupled with a Gupta-type empirical many-body potential - and Density Functional Theory (DFT) calculations to study the structures, bonding and chemical ordering, as well as investigate the chemisorptions of hydrogen and carbon monoxide on bimetallic clusters. This research is highly relevant to experimental catalytic studies and has resulted in more than seven publications in international journals.
Author: Rajeev Kumar
Publisher: Springer Nature
ISBN: 981159239X
Category : Technology & Engineering
Languages : en
Pages : 297
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Book Description
This book provides the detail information about nanoparticles, their types, characterization techniques such as TEM, FESEM, AFM, XRD etc. nanogenotoxicity, metal and metal oxide nanoparticle’s toxicity, physical and chemical characterization of nanomaterials, entry routes, cell-nano interaction studies, possible impacts to the human kind, and on the methods of evaluating the toxicity. It puts together comprehensive and up-to-date information about sustainable approaches in making an eco-friendly environment using advanced nanotechnologies. It educated readers about the new frontiers and scope of employing various state-of-art nano-technologies to clean-up and save our environment. This book will be of interest to teachers, researchers, environmental biotechnologists, capacity builders and policymakers. Also the book serves as additional reading material for undergraduate and graduate students of agriculture, environmental sciences, environmental engineering and biotechnology.
Author: Maria Benelmekki
Publisher: Morgan & Claypool Publishers
ISBN: 1627057021
Category : Science
Languages : en
Pages : 93
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Book Description
In the last few years, several “bottom-up” and “top-down” synthesis routes have been developed to produce tailored hybrid nanoparticles (HNPs). This book provides a new insight into one of the most promising “bottom-up” techniques, based on a practical magnetron-sputtering inert-gas-condensation method. A modified magnetron-sputtering-based inert-gas-condensation (MS-IGC) system is presented, and its performances under different conditions are evaluated. Designed for graduate students, researchers in physics, materials science, biophysics and related fields, and process engineers, this new resource fills a critical need to understand the fundamentals behind the design and tailoring of the nanoparticles produced by the MS-IGC method. It shows that the morphology, the size and the properties of the nanoparticles can be modulated by tuning the deposition parameters such as the energy, the cooling rate, and the collision and coalescence processes experienced by the nanoparticles during their formation. The mechanisms of formation of different HNPs are suggested, combining the physico-chemical properties of the materials with the experimental conditions. This book illustrates the potential of MS-IGC method to synthesize multifunctional nanoparticles and nanocomposites with accurate control on their morphology and structure. However, for a better understanding of HNPs formation, further improvements in characterization methods of aggregation zone conditions are needed. In addition, the optimization of the yield and harvesting process of HNPs is essential to make this method sufficiently attractive for large-scale production.
Author: Srivastava, Prateek
Publisher: IGI Global
ISBN: 1668481197
Category : Technology & Engineering
Languages : en
Pages : 444
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Book Description
Managing solid waste is one of the biggest challenges in urban areas around the world. Technologically advanced economies generate vast amounts of organic waste materials, many of which are disposed of in landfills. In the future, efficient use of carbon-containing waste and all other waste materials must be increased to reduce the need for virgin raw materials acquisition, including biomass, and reduce carbon emissions to the atmosphere, mitigating climate change. Moreover, expeditious development in information and communications technology (ICT) has made the machines more powerful and efficient, but at the same time, there is a simultaneous decrease in product life leading to an extensive rise in the annual production of e-waste, or electronic waste. Considering the health hazards and environmental implications of e-waste, it has become a global problem that needs serious attention. The Handbook of Research on Safe Disposal Methods of Municipal Solid Wastes for a Sustainable Environment covers waste management principles and strategies in different fields and corresponding applications. The book also focuses on the waste management strategies for a sustainable environment that have emerged. Covering key topics such as waste, energy, and recycling, this premier reference source is an excellent resource for environmentalists, government officials, researchers, scholars, academicians, practitioners, instructors, and students.
Author:
Publisher: Elsevier
ISBN: 0080982115
Category : Technology & Engineering
Languages : en
Pages : 313
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Book Description
The field of nanoscience has undergone tremendous growth in the past decade as the number of applications of nanoparticles and nanostructured materials have proliferated. Metal nanoparticles have attracted particular interest due to their potential for applications in areas as diverse as catalysis, medicine and opto-electronics. The chemical and physical properties of metal nanoparticles can vary smoothly or discontinuously with nanoparticle size, depending on the size regime and the property. In the case of bi- or multimetallic nanoparticles ("nanoalloys"), these properties also depend on the elemental composition and the chemical ordering – how the metals are distributed in the nanoparticles.It is this tunability of behavior that makes metal nanoparticles and nanoalloys so versatile and appealing.This book begins with a tutorial introducing the theoretical ideas and models that have been developed to understand metal nanoparticles. It gives an overview of experimental methods for generating and characterizing metal nanoparticles and nanoalloys and of their properties and applications, providing an introduction to material covered in more depth in subsequent chapters. A major theme of all the chapters is the effect of nanoparticle size, shape and surface chemistry on their properties – especially optical and catalytic properties. - A unified discussion of the inter-relations between modelling, synthesis and physical properties of nanoparticles and nanoalloys - A discussion of the most promising new catalytic and photocatalytic applications of nanoparticles and the approaches used to achieve these goals - A tutorial introduction which provides a basis for understanding the subsequent specialized chapters
Author: Florent Calvo
Publisher: Newnes
ISBN: 0123946166
Category : Technology & Engineering
Languages : en
Pages : 433
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Book Description
Nanoalloys: From Fundamentals to Emergent Applications presents and discusses the major topics related to nanoalloys at a time when the literature on the subject remains scarce. Particular attention is paid to experimental and theoretical aspects under the form of broad reviews covering the most recent developments. The book is organized into 11 chapters covering the most fundamental aspects of nanoalloys related to their synthesis and characterization, as well as their theoretical study. Aspects related to their thermodynamics and kinetics are covered as well. The coverage then moves to more specific topics, including optics, magnetism and catalysis, and finally to biomedical applications and the technologically relevant issue of self-assembly.With no current single reference source on the subject, the work is invaluable for researchers as the nanoscience field moves swiftly to full monetization. - Encapsulates physical science of structure, properties, size, composition and ordering at nanoscale, aiding synthesis of experimentation and modelling - Multi-expert and interdisciplinary perspectives on growth, synthesis and characterization of bimetallic clusters and particulates supports expansion of your current research activity into applications - Synthesizes concepts and draws links between fundamental metallurgy and cutting edge nanoscience, aiding interdisciplinary research activity
Author: Florent Calvo
Publisher: Elsevier
ISBN: 012822388X
Category : Technology & Engineering
Languages : en
Pages : 526
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Book Description
Nanoalloys, Second Edition, provides a self-contained reference on the physics and chemistry of nanoscale alloys, dealing with all important aspects that range from the theoretical concepts and the practical synthesis methods to the characterization tools. The book also covers modern applications of nanoalloys in materials science, catalysis or nanomedicine and discusses their possible toxicity. - Covers fundamentals and applicative aspects of nanoalloys in a balanced presentation, including theoretical and experimental perspectives - Describes physical and chemical approaches, synthesis and characterization tools - Illustrates the potential benefit of alloying on various applications ranging from materials science to energy production and nanomedicine - Updates and adds topics not fully developed at the time of the 1st edition, such as toxicity and energy applications
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110783649
Category : Science
Languages : en
Pages : 254
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Book Description
Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110467216
Category : Science
Languages : en
Pages : 250
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Book Description
Eleven carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2016) are featured in this edited book of proceedings. VCCS-2016, an annual meeting, was held online from 1st to 31st August 2016. The theme of the conference was "Computational Thinking for the Advancement of Society" and it matched the paradigm shift in the way we think. VCCS-2016 was attended by 100 participants from 20 countries. The chapters reflect a wide range of fundamental and applied research applying computational methods.
Author: Tanmoy Chakraborty
Publisher: CRC Press
ISBN: 1771885696
Category : Science
Languages : en
Pages : 370
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Book Description
Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.
