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First Principles Studies Of Group Iv And Group V Related Two Dimensional Materials
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Book Synopsis FIRST-PRINCIPLES STUDIES OF GROUP IV AND GROUP V RELATED TWO DIMENSIONAL MATERIALS by :
Download or read book FIRST-PRINCIPLES STUDIES OF GROUP IV AND GROUP V RELATED TWO DIMENSIONAL MATERIALS written by and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract : Two dimensional (2D) materials have been extensively studied due to their novel properties and technologically important applications. Especially, the discovery of graphene has stimulated an avalanche of investigations to exploit its novel properties for applications at nanoscale. In the post-silicon era, graphene has been widely regarded as the most promising building blocks for the electronic devices. However, its metallic nature together with sensitivity to the environment leads to somewhat limited scope of applications. A finite band gap in a material is known to be essential for the fabrication of devices such as transistors. Such a limitation associated with graphene has led to the exploration of 2D materials beyond graphene. My work in this thesis can be broadly classified into two parts. The first part is focused on exploring the properties of some new 2D materials that have been synthesized in experiments using first-principles calculations based on density functional theory. Specifically, the electronic properties of group IV monolayer graphyne and group V monolayer phosphorene, engineering of their properties with external strain and defects, and the oxidation and degradation of phosphorene in air are investigated. The second part is focused on computational design of new 2D materials that have not been synthesized in experiments yet. For example, the structure and stability of antimonene and carbon phosphide monolayers are studied. These theoretical investigations in the present thesis not only improve our understandings on the physics and chemistry of existing 2D materials, but also lead to the fabrication of novel 2D materials for future applications.
Book Synopsis 2D Monoelemental Materials (Xenes) and Related Technologies by : Zongyu Huang
Download or read book 2D Monoelemental Materials (Xenes) and Related Technologies written by Zongyu Huang and published by CRC Press. This book was released on 2022-04-19 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: Monoelemental 2D materials called Xenes have a graphene-like structure, intra-layer covalent bond, and weak van der Waals forces between layers. Materials composed of different groups of elements have different structures and rich properties, making Xenes materials a potential candidate for the next generation of 2D materials. 2D Monoelemental Materials (Xenes) and Related Technologies: Beyond Graphene describes the structure, properties, and applications of Xenes by classification and section. The first section covers the structure and classification of single-element 2D materials, according to the different main groups of monoelemental materials of different components and includes the properties and applications with detailed description. The second section discusses the structure, properties, and applications of advanced 2D Xenes materials, which are composed of heterogeneous structures, produced by defects, and regulated by the field. Features include: Systematically detailed single element materials according to the main groups of the constituent elements Classification of the most effective and widely studied 2D Xenes materials Expounding upon changes in properties and improvements in applications by different regulation mechanisms Discussion of the significance of 2D single-element materials where structural characteristics are closely combined with different preparation methods and the relevant theoretical properties complement each other with practical applications Aimed at researchers and advanced students in materials science and engineering, this book offers a broad view of current knowledge in the emerging and promising field of 2D monoelemental materials.
Book Synopsis Fundamental Physicochemical Properties of Germanene-related Materials by : Chi-Hsuan Lee
Download or read book Fundamental Physicochemical Properties of Germanene-related Materials written by Chi-Hsuan Lee and published by Elsevier. This book was released on 2023-05-23 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fundamental Physicochemical Properties of Germanene-related Materials: A Theoretical Perspective provides a comprehensive review of germanene-related materials to help users understand the essential properties of these compounds. The book covers various germanium complex states such as germanium oxides, germanium on Ag, germanium/silicon composites and germanium compounds. Diverse phenomena are clearly illustrated using the most outstanding candidates of the germanium/germanene-related material. Delicate simulations and analyses are thoroughly demonstrated under the first-principles method, being fully assisted by phenomenological models. Macroscopic phenomena in chemical systems, including their principles, practices and concepts of physics such as energy, structure, thermodynamics and quantum chemistry are fully covered. Germanium-based materials play critical roles in the basic and applied sciences, as clearly revealed in other group-IV and group-V condensed-matter systems. Their atomic configurations are suitable for creating the active chemical bonding among the identical and/or different nearest-neighboring atoms leading to diverse physical/chemical/material environments. Provides a comprehensive review of germanene-related materials with a physicochemical and theoretical foundation that is useful for readers in understanding the essential properties of these compounds Presents a unique theoretical framework under single and multi-hybridization theory Contains significant combinations with phenomenological and experimental measurements Focuses on the study of macroscopic phenomena in chemical systems in terms of their principles, practices and concepts of physics such as energy, structure, thermodynamics and quantum chemistry
Download or read book 2D Materials written by Phaedon Avouris and published by Cambridge University Press. This book was released on 2017-06-29 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive and accessible introduction to 2D materials, covering basic physics, electronic and optical properties, and potential applications.
Book Synopsis Handbook of Stillinger-Weber Potential Parameters for Two-Dimensional Atomic Crystals by : Jin-Wu Jiang
Download or read book Handbook of Stillinger-Weber Potential Parameters for Two-Dimensional Atomic Crystals written by Jin-Wu Jiang and published by BoD – Books on Demand. This book was released on 2017-12-20 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: A large number of two-dimensional atomic crystals have emerged in recent years. The interatomic potential is a fundamental ingredient for the simulation of these atomic crystals. This book provides the parameters of the Stillinger-Weber potential for 156 two-dimensional atomic crystals, which will help readers to efficiently start up their simulations.
Book Synopsis Materials Aspect of Thermoelectricity by : Ctirad Uher
Download or read book Materials Aspect of Thermoelectricity written by Ctirad Uher and published by CRC Press. This book was released on 2016-11-25 with total page 625 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, novel families of materials have been discovered and significant improvements in classical thermoelectric materials have been made. Thermoelectric generators are now being used to harvest industrial heat waste and convert it into electricity. This is being utilized in communal incinerators, large smelters, and cement plants. Leading car and truck companies are developing thermoelectric power generators to collect heat from the exhaust systems of gasoline and diesel engines. Additionally, thermoelectric coolers are being used in a variety of picnic boxes, vessels used to transport transplant organs, and in air-conditioned seats of mid-size cars. Consisting of twenty-one chapters written by top researchers in the field, this book explores the major advancements being made in the material aspects of thermoelectricity and provides a critical assessment in regards to the broadening of application opportunities for thermoelectric energy conversion.
Book Synopsis Introduction to the Physics of Silicene and other 2D Materials by : Seymur Cahangirov
Download or read book Introduction to the Physics of Silicene and other 2D Materials written by Seymur Cahangirov and published by Springer. This book was released on 2016-11-01 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt: This concise book offers an essential introduction and reference guide for the many newcomers to the field of physics of elemental 2D materials. Silicene and related materials are currently among the most actively studied materials, especially following the first experimental synthesis on substrates in 2012. Accordingly, this primer introduces and reviews the most crucial developments regarding silicene from both theoretical and experimental perspectives. At the same time the reader is guided through the extensive body of relevant foundational literature. The text starts with a brief history of silicene, followed by a comparison of the bonding nature in silicon versus carbon atoms. Here, a simple but robust framework is established to help the reader follow the concepts presented throughout the book. The book then presents the atomic and electronic structure of free-standing silicene, followed by an account of the experimental realization of silicene on substrates. This topic is subsequently developed further to discuss various reconstructions that silicene acquires due to interactions with the substrate and how such effects are mirrored in the electronic properties. Next the book examines the dumbbell structure that is the key to understanding the growth mechanism and atomic structure of multilayer silicene. Last but not least, it addresses similar effects in other elemental 2D materials from group IV (germanene, stanane), group V (phosphorene) and group III (borophene), as well as transition metal dichalcogenides and other compositions, so as to provide a general comparative overview of their electronic properties.
Book Synopsis Electronic Materials by : James R. Chelikowsky
Download or read book Electronic Materials written by James R. Chelikowsky and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modem materials science is exploiting novel tools of solid-state physics and chemistry to obtain an unprecedented understanding of the structure of matter at the atomic level. The direct outcome of this understanding is the ability to design and fabricate new materials whose properties are tailored to a given device ap plication. Although applications of materials science can range from low weight, high strength composites for the automobile and aviation industry to biocompat ible polymers, in no other field has progress been more strikingly rapid than in that of electronic materials. In this area, it is now possible to predict from first principles the properties of hypothetical materials and to construct artificially structured materials with layer-by-Iayer control of composition and microstruc ture. The resulting superlattices, multiple quantum wells, and high temperature superconductors, among others, will dominate our technological future. A large fraction of the current undergraduate and graduate students in science and engi neering will be directly involved in furthering the revolution in electronic mate rials. With this book, we want to welcome such students to electronic materials research and provide them with an introduction to this exciting and rapidly de veloping area of study. A second purpose of this volume is to provide experts in other fields of solid state physics and chemistry with an overview of contemporary research within the field of electronic materials.
Book Synopsis Encyclopedia of Interfacial Chemistry by :
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
Book Synopsis 2D Materials for Nanoelectronics by : Michel Houssa
Download or read book 2D Materials for Nanoelectronics written by Michel Houssa and published by CRC Press. This book was released on 2016-05-05 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: Major developments in the semiconductor industry are on the horizon through the use of two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides, for integrated circuits (ICs). 2D Materials for Nanoelectronics is the first comprehensive treatment of these materials and their applications in nanoelectronic devices.Compris
Book Synopsis Defects in Two-Dimensional Materials by : Rafik Addou
Download or read book Defects in Two-Dimensional Materials written by Rafik Addou and published by Elsevier. This book was released on 2022-02-14 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Defects in Two-Dimensional Materials addresses the fundamental physics and chemistry of defects in 2D materials and their effects on physical, electrical and optical properties. The book explores 2D materials such as graphene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMD). This knowledge will enable scientists and engineers to tune 2D materials properties to meet specific application requirements. The book reviews the techniques to characterize 2D material defects and compares the defects present in the various 2D materials (e.g. graphene, h-BN, TMDs, phosphorene, silicene, etc.). As two-dimensional materials research and development is a fast-growing field that could lead to many industrial applications, the primary objective of this book is to review, discuss and present opportunities in controlling defects in these materials to improve device performance in general or use the defects in a controlled way for novel applications. Presents the theory, physics and chemistry of 2D materials Catalogues defects of 2D materials and their impacts on materials properties and performance Reviews methods to characterize, control and engineer defects in 2D materials
Book Synopsis Graphene Science Handbook by : Mahmood Aliofkhazraei
Download or read book Graphene Science Handbook written by Mahmood Aliofkhazraei and published by CRC Press. This book was released on 2016-04-21 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Size Up the Short- and Long-Term Effects of GrapheneThe Graphene Science Handbook is a six-volume set that describes graphene's special structural, electrical, and chemical properties. The book considers how these properties can be used in different applications (including the development of batteries, fuel cells, photovoltaic cells, and supercapac
Book Synopsis Advanced Materials Research VIII by : Serge Zhuiykov
Download or read book Advanced Materials Research VIII written by Serge Zhuiykov and published by Trans Tech Publications Ltd. This book was released on 2018-03-26 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: 8th International Conference on Advanced Materials Research (ICAMR-2018) Selected, peer reviewed papers from the 8th International Conference on Advanced Materials Research (ICAMR-2018, January 20-22, 2018, Fukuoka, Japan)
Book Synopsis Aerospace Alloys by : Stefano Gialanella
Download or read book Aerospace Alloys written by Stefano Gialanella and published by Springer Nature. This book was released on 2019-10-30 with total page 583 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an up-to-date overview on the main classes of metallic materials currently used in aeronautical structures and propulsion engines and discusses other materials of potential interest for structural aerospace applications. The coverage encompasses light alloys such as aluminum-, magnesium-, and titanium-based alloys, including titanium aluminides; steels; superalloys; oxide dispersion strengthened alloys; refractory alloys; and related systems such as laminate composites. In each chapter, materials properties and relevant technological aspects, including processing, are presented. Individual chapters focus on coatings for gas turbine engines and hot corrosion of alloys and coatings. Readers will also find consideration of applications in aerospace-related fields. The book takes full account of the impact of energy saving and environmental issues on materials development, reflecting the major shifts that have occurred in the motivations guiding research efforts into the development of new materials systems. Aerospace Alloys will be a valuable reference for graduate students on materials science and engineering courses and will also provide useful information for engineers working in the aerospace, metallurgical, and energy production industries.
Book Synopsis Copper Zinc Tin Sulfide-Based Thin-Film Solar Cells by : Kentaro Ito
Download or read book Copper Zinc Tin Sulfide-Based Thin-Film Solar Cells written by Kentaro Ito and published by John Wiley & Sons. This book was released on 2014-12-11 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Beginning with an overview and historical background of Copper Zinc Tin Sulphide (CZTS) technology, subsequent chapters cover properties of CZTS thin films, different preparation methods of CZTS thin films, a comparative study of CZTS and CIGS solar cell, computational approach, and future applications of CZTS thin film solar modules to both ground-mount and rooftop installation. The semiconducting compound (CZTS) is made up earth-abundant, low-cost and non-toxic elements, which make it an ideal candidate to replace Cu(In,Ga)Se2 (CIGS) and CdTe solar cells which face material scarcity and toxicity issues. The device performance of CZTS-based thin film solar cells has been steadily improving over the past 20 years, and they have now reached near commercial efficiency levels (10%). These achievements prove that CZTS-based solar cells have the potential to be used for large-scale deployment of photovoltaics. With contributions from leading researchers from academia and industry, many of these authors have contributed to the improvement of its efficiency, and have rich experience in preparing a variety of semiconducting thin films for solar cells.
Book Synopsis Journal of the Physical Society of Japan by : Nihon Butsuri Gakkai
Download or read book Journal of the Physical Society of Japan written by Nihon Butsuri Gakkai and published by . This book was released on 2011 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Design of Two-Dimensional Functional Materials and Nanodevices by : Guangzhao Wang
Download or read book Design of Two-Dimensional Functional Materials and Nanodevices written by Guangzhao Wang and published by Frontiers Media SA. This book was released on 2022-07-26 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt:
