Computational Studies Of Transition Metal Nanoalloys

Author : Lauro Oliver Paz Borbón
Publisher : Springer Science & Business Media
Page : 156 pages
File Size : 45,9 Mb
Release : 2011-04-29
Category : Science
ISBN : 9783642180125

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Computational Studies of Transition Metal Nanoalloys by Lauro Oliver Paz Borbón Pdf

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 : Srivastava, Prateek,Ramteke, Durgaprasad,Bedyal, Ankush Kumar,Gupta, Monika,Sandhu, Jasminder Kaur
Publisher : IGI Global
Page : 444 pages
File Size : 41,7 Mb
Release : 2023-07-14
Category : Technology & Engineering
ISBN : 9781668481196

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Handbook of Research on Safe Disposal Methods of Municipal Solid Wastes for a Sustainable Environment by Srivastava, Prateek,Ramteke, Durgaprasad,Bedyal, Ankush Kumar,Gupta, Monika,Sandhu, Jasminder Kaur Pdf

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 : Rajeev Kumar,Raman Kumar,Gurpreet Kaur
Publisher : Springer Nature
Page : 297 pages
File Size : 51,8 Mb
Release : 2021-03-20
Category : Technology & Engineering
ISBN : 9789811592393

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New Frontiers of Nanomaterials in Environmental Science by Rajeev Kumar,Raman Kumar,Gurpreet Kaur Pdf

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
Page : 68 pages
File Size : 54,6 Mb
Release : 2015-04-01
Category : Science
ISBN : 9781627054690

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Designing Hybrid Nanoparticles by Maria Benelmekki Pdf

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 : Anonim
Publisher : Elsevier
Page : 312 pages
File Size : 48,8 Mb
Release : 2012-03-29
Category : Technology & Engineering
ISBN : 9780080982113

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Metal Nanoparticles and Nanoalloys by Anonim Pdf

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 : Marcelo Mario Mariscal,Oscar Alejandro Oviedo,Ezequiel Pedro Marcos Leiva
Publisher : Springer Science & Business Media
Page : 358 pages
File Size : 54,9 Mb
Release : 2012-07-27
Category : Technology & Engineering
ISBN : 9781461436430

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Metal Clusters and Nanoalloys by Marcelo Mario Mariscal,Oscar Alejandro Oviedo,Ezequiel Pedro Marcos Leiva Pdf

Metallic nanoparticles hold promise for their potential applications in a wide array of disciplines ranging from materials science to medicine. This book brings the power of theoretical methods to an audience of experimentalists, and explicates the simulation of metallic clusters and nanoparticles. It begins with a summary of the current state of research on metallic nanoparticles, then moves on to the current state of the art in theory of metallic nanoparticldes, and then explains why and how these tools help experimentalists. Contributions are provided by renowned experts in the field from across the world.

Author : J. Dorantes-Dávila,G.M. Pastor
Publisher : Elsevier Inc. Chapters
Page : 432 pages
File Size : 53,8 Mb
Release : 2013-03-12
Category : Technology & Engineering
ISBN : 9780128059586

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Nanoalloys by J. Dorantes-Dávila,G.M. Pastor Pdf

Author : Ponnadurai Ramasami
Publisher : Walter de Gruyter GmbH & Co KG
Page : 254 pages
File Size : 49,6 Mb
Release : 2022-10-03
Category : Science
ISBN : 9783110783643

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Computational, Education, and Materials Science Aspects by Ponnadurai Ramasami Pdf

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 : Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey
Publisher : CRC Press
Page : 370 pages
File Size : 48,9 Mb
Release : 2017-10-03
Category : Science
ISBN : 9781771885690

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Computational Chemistry Methodology in Structural Biology and Materials Sciences by Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey Pdf

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.

Author : Ponnadurai Ramasami
Publisher : Walter de Gruyter GmbH & Co KG
Page : 248 pages
File Size : 44,8 Mb
Release : 2017-10-23
Category : Science
ISBN : 9783110467215

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Computational Sciences by Ponnadurai Ramasami Pdf

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 : Kanchan Sarkar,Sankar Prasad Bhattacharyya
Publisher : CRC Press
Page : 439 pages
File Size : 40,7 Mb
Release : 2017-11-06
Category : Mathematics
ISBN : 9781351648936

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Soft Computing in Chemical and Physical Sciences by Kanchan Sarkar,Sankar Prasad Bhattacharyya Pdf

This book can be regarded as 'Soft computing for physicists and chemists self-taught'. It prepares the readers with a solid background of soft computing and how to adapt soft computing techniques to problem solving in physical and chemical research. Soft computing methods have been little explored by researchers in physical and chemical sciences primarily because of the absence of books that bridge the gap between the traditional computing paradigm pursued by researchers in science and the new soft computing paradigm that has emerged in computer science. This book is the interface between these primary sources and researchers in physics and chemistry.

Author : Stefan T. Bromley,Scott M. Woodley
Publisher : Elsevier
Page : 351 pages
File Size : 54,9 Mb
Release : 2018-09-12
Category : Science
ISBN : 9780081022757

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Computational Modelling of Nanoparticles by Stefan T. Bromley,Scott M. Woodley Pdf

Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications

Author : Stefka Fidanova
Publisher : Springer Nature
Page : 487 pages
File Size : 48,5 Mb
Release : 2021-12-14
Category : Technology & Engineering
ISBN : 9783030823979

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Recent Advances in Computational Optimization by Stefka Fidanova Pdf

This book presents recent advances in computational optimization. Our everyday life is unthinkable without optimization. We try to minimize our effort and to maximize the achieved profit. Many real-world and industrial problems arising in engineering, economics, medicine and other domains can be formulated as optimization tasks. The book is a comprehensive collection of extended contributions from the Workshops on Computational Optimization 2020. The book includes important real problems like modeling of physical processes, workforce planning, parameter settings for controlling different processes, transportation problems, wireless sensor networks, machine scheduling, air pollution modeling, solving multiple integrals and systems of differential equations which describe real processes, solving engineering problems. It shows how to develop algorithms for them based on new intelligent methods like evolutionary computations, ant colony optimization, constrain programming and others. This research demonstrates how some real-world problems arising in engineering, economics and other domains can be formulated as optimization problems.

Author : Damien Alloyeau,Christine Mottet,Christian Ricolleau
Publisher : Springer Science & Business Media
Page : 415 pages
File Size : 48,6 Mb
Release : 2012-07-13
Category : Technology & Engineering
ISBN : 9781447140146

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Nanoalloys by Damien Alloyeau,Christine Mottet,Christian Ricolleau Pdf

Bimetallic nanoparticles, also called nanoalloys, are at the heart of nanoscience because of their ability to tune together composition and size for specific purposes. By approaching both their physical and chemical properties, Nanoalloys: Synthesis, Structure & Properties provides a comprehensive reference to this research field in nanoscience by addressing the subject from both experimental and theoretical points of view, providing chapters across three main topics: Growth and structural properties Thermodynamics and electronic structure of nanoalloys Magnetic, optic and catalytic properties The growth and elaboration processes which are the necessary and crucial part of any experimental approach are detailed in the first chapter. Three chapters are focused on the widely used characterization techniques sensitive to both the structural arrangements and chemistry of nanoalloys. The electronic structure of nanoalloys is described as a guide of useful concepts and theoretical tools. Chapters covering thermodynamics begin with bulk alloys, going to nanoalloys via surfaces in order to describe chemical order/disorder, segregation and phase transitions in reduced dimension. Finally, the optical, magnetic and catalytic properties are discussed by focusing on nanoparticles formed with one element to track the modifications which occur when forming nanoalloys. The range and detail of Nanoalloys: Synthesis, Structure & Properties makes it an ideal resource for postgraduates and researchers working in the field of nanoscience looking to expand and support their knowledge of nanoalloys.

Author : Florent Calvo
Publisher : Elsevier
Page : 524 pages
File Size : 45,8 Mb
Release : 2020-06-26
Category : Technology & Engineering
ISBN : 9780128223888

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Nanoalloys by Florent Calvo Pdf

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