Download or read book Structure and Adatom Enriched Essential Properties of Graphene Nanoribbons written by Shih-Yang Lin and published by CRC Press. This book was released on 2018-11-19 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structure- and Adatom-Enriched Essential Properties of Graphene Nanoribbons offers a systematic review of the feature-rich essential properties in emergent graphene nanoribbons, covering mainstream theoretical and experimental research. It includes a wide range of 1D systems; namely, armchair and zigzag graphene nanoribbons with and without hydrogen terminations, curved and zipped graphene nanoribbons, folded graphene nanoribbons, carbon nanoscrolls, bilayer graphene nanoribbons, edge-decorated graphene nanoribbons, and alkali-, halogen-, Al-, Ti, and Bi-absorbed graphene nanoribbons. Both multiorbital chemical bondings and spin arrangements, which are responsible for the diverse phenomena, are explored in detail. First-principles calculations are developed to thoroughly describe the physical, chemical, and material phenomena and concise images explain the fundamental properties. This book examines in detail the application and theory of graphene nanoribbons, offering a new perspective on up-to-date mainstream theoretical and experimental research.

Download or read book Rich Quasiparticle Properties In Layered Graphene related Systems written by Ming-fa Lin and published by World Scientific. This book was released on 2023-12-27 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book delves into the fascinating world of quasiparticle properties of graphene-related materials. The authors thoroughly explore the intricate effects of intrinsic and extrinsic interactions on the material's properties, while unifying the single-particle and many-particle properties through the development of a theoretical framework. The book covers a wide range of research topics, including long-range Coulomb interactions, dynamic charge density waves, Friedel oscillations and plasmon excitations, as well as optical reflection and transmission spectra of thin films. Also it highlights the crucial roles of inelastic Coulomb scattering and optical scattering in the quasiparticle properties of layered systems, and the impact of crystal symmetry, number of layers, and stacking configuration on their uniqueness. Furthermore, the authors explore the topological properties of quasiparticles, including 2D time-reversal-symmetry protected topological insulators with quantum spin Hall effect, and rhombohedral graphite with Dirac nodal lines. Meanwhile, the book examines the gate potential application for creating topological localized states and shows topological invariants of 2D Dirac fermions, and binary Z2 topological invariants under chiral symmetry. The calculated results are consistent with the present experimental observations, establishing it as a valuable resource for individuals interested in the quasiparticle properties of novel materials.

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 Lithium Related Batteries written by Ngoc Thanh Thuy Tran and published by CRC Press. This book was released on 2022-03-09 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book serves as a comprehensive treatment of the advanced microscopic properties of lithium- and sodium-based batteries. It focuses on the development of the quasiparticle framework and the successful syntheses of cathode/electrolyte/anode materials in these batteries. FEATURES Highlights lithium-ion and sodium-ion batteries as well as lithium sulfur-, aluminum-, and iron-related batteries Describes advanced battery materials and their fundamental properties Addresses challenges to improving battery performance Develops theoretical predictions and experimental observations under a unified quasiparticle framework Targets core issues such as stability and efficiencies Lithium-Related Batteries: Advances and Challenges will appeal to researchers and advanced students working in battery development, including those in the fields of materials, chemical, and energy engineering.

Download or read book Diverse Quantization Phenomena in Layered Materials written by Chiun-Yan Lin and published by CRC Press. This book was released on 2019-12-06 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph offers a comprehensive overview of diverse quantization phenomena in layered materials, covering current mainstream experimental and theoretical research studies, and presenting essential properties of layered materials along with a wealth of figures. This book illustrates commonly used synthesis methods of these 2D materials and compares the calculated results and experimental measurements, including novel features not yet reported. The book also discusses experimental measurements of magnetic quantization, theoretical modeling for studying systems and covers diversified magneto-electronic properties, magneto-optical selection rules, unusual quantum Hall conductivities, and single- and many-particle magneto-Coulomb excitations. Rich and unique behaviors are clearly revealed in few-layer graphene systems with distinct stacking configuration, stacking-modulated structures, silicon-doped lattices, bilayer silicene/germanene systems with the bottom-top and bottom-bottom buckling structures, monolayer and bilayer phosphorene systems, and quantum topological insulators. The generalized tight-binding model, the static and dynamic Kubo formulas, and the random-phase approximation are developed/modified to thoroughly explore the fundamental properties and propose the concise physical pictures. Different high-resolution experimental measurements are discussed in detail, and they are consistent with the theoretical predictions. Aimed at readers working in materials science, physics, and engineering this book should be useful for potential applications in energy storage, electronic devices, and optoelectronic devices.

Download or read book Energy Storage and Conversion Materials written by Ngoc Thanh Thuy Tran and published by CRC Press. This book was released on 2023-05-03 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the fundamental properties of a wide range of energy storage and conversion materials, covering mainstream theoretical and experimental studies and their applications in green energy. It presents a thorough investigation of diverse physical, chemical, and material properties of rechargeable batteries, supercapacitors, solar cells, and fuel cells, covering the development of theoretical simulations, machine learning, high-resolution experimental measurements, and excellent device performance. Covers potential energy storage (rechargeable batteries and supercapacitors) and energy conversion (solar cells and fuel cells) materials Develops theoretical predictions and experimental observations under a unified quasi-particle framework Illustrates up-to-date calculation results and experimental measurements Describes successful synthesis, fabrication, and measurements, as well as potential applications and near-future challenges Promoting a deep understanding of basic science, application engineering, and commercial products, this work is appropriate for senior graduate students and researchers in materials, chemical, and energy engineering and related disciplines.

Download or read book Diverse Quasiparticle Properties of Emerging Materials written by Tran Thi Thu Hanh and published by CRC Press. This book was released on 2022-10-07 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations thoroughly explores the rich and unique quasiparticle properties of emergent materials through a VASP-based theoretical framework. Evaluations and analyses are conducted on the crystal symmetries, electronic energy spectra/wave functions, spatial charge densities, van Hove singularities, magnetic moments, spin configurations, optical absorption structures with/without excitonic effects, quantum transports, and atomic coherent oscillations. Key Features Illustrates various quasiparticle phenomena, mainly covering orbital hybridizations and spin-up/spin-down configurations Mainly focuses on electrons and holes, in which their methods and techniques could be generalized to other quasiparticles, such as phonons and photons Considers such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulators Includes a section on applications of these materials This book is aimed at professionals and researchers in materials science, physics, and physical chemistry, as well as upper-level students in these fields.

Download or read book Chemical Modifications Of Graphene like Materials written by Nguyen Thanh Tien and published by World Scientific. This book was released on 2023-12-27 with total page 605 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graphene-like materials have attracted considerable interest in the fields of condensed-matter physics, chemistry, and materials science due to their interesting properties as well as the promise of a broad range of applications in energy storage, electronic, optoelectronic, and photonic devices.The contents present the diverse phenomena under development in the grand quasiparticle framework through the first-principles calculations. The critical mechanisms, the orbital hybridizations and spin configurations of graphene-like materials through the chemical adsorptions, intercalations, substitutions, decorations, and heterojunctions, are taken into account. Specifically, the hydrogen-, oxygen-, transition-metal- and rare-earth-dependent compounds are thoroughly explored for the unusual spin distributions. The developed theoretical framework yields concise physical, chemical, and material pictures. The delicate evaluations are thoroughly conducted on the optimal lattices, the atom- and spin-dominated energy bands, the orbital-dependent sub-envelope functions, the spatial charge distributions, the atom- orbital- and spin-projected density of states, the spin densities, the magnetic moments, and the rich optical excitations. All consistent quantities are successfully identified by the multi-orbital hybridizations in various chemical bonds and guest- and host-induced spin configurations.The scope of the book is sufficiently broad and deep in terms of the geometric, electronic, magnetic, and optical properties of 3D, 2D, 1D, and 0D graphene-like materials with different kinds of chemical modifications. How to evaluate and analyze the first-principles results is discussed in detail. The development of the theoretical framework, which can present the diversified physical, chemical, and material phenomena, is obviously illustrated for each unusual condensed-matter system. To achieve concise physical and chemical pictures, the direct and close combinations of the numerical simulations and the phenomenological models are made frequently available via thorough discussions. It provides an obvious strategy for the theoretical framework, very useful for science and engineering communities.

Download or read book Lithium Ion Batteries and Solar Cells written by Ming-Fa Lin and published by CRC Press. This book was released on 2021-01-17 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lithium-Ion Batteries and Solar Cells: Physical, Chemical, and Materials Properties presents a thorough investigation of diverse physical, chemical, and materials properties and special functionalities of lithium-ion batteries and solar cells. It covers theoretical simulations and high-resolution experimental measurements that promote a full understanding of the basic science to develop excellent device performance. Employs first-principles and the machine learning method to fully explore the rich and unique phenomena of cathode, anode, and electrolyte (solid and liquid states) in lithium-ion batteries Develops distinct experimental methods and techniques to enhance the performance of lithium-ion batteries and solar cells Reviews syntheses, fabrication, and measurements Discusses open issues, challenges, and potential commercial applications This book is aimed at materials scientists, chemical engineers, and electrical engineers developing enhanced batteries and solar cells for peak performance.

Download or read book 2D and 3D Graphene Nanocomposites written by Olga E. Glukhova and published by CRC Press. This book was released on 2019-10-31 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent decades, graphene composites have received considerable attention due to their unique structural features and extraordinary properties. 2D and 3D graphene hybrid structures are widely used in memory, microelectronic, and optoelectronic devices; energy- and power-density supercapacitors; light-emitting diodes; and sensors, batteries, and solar cells. This book covers the fundamental properties of the latest graphene-based 2D and 3D composite materials. The book is a result of the collective work of many highly qualified specialists in the field of experimental and theoretical research on graphene and its derivatives. It describes experimental methods for obtaining and characterizing samples of chemically modified graphene, details conceptual foundations of popular methods for computer modeling of graphene nanostructures, and compiles original computational techniques developed by the chapter authors. It discusses the potential application areas and modifications of graphene-based 2D and 3D composite materials and interprets the interesting physical effects discovered for the first time for graphene materials under consideration. The book is useful for graduate students and researchers as well as specialists in industrial engineering. It will also appeal to those involved in materials science, condensed matter physics, nanotechnology, physical electronics, nano- and optoelectronics.

Download or read book Geometric and Electronic Properties of Graphene Related Systems written by Ngoc Thanh Thuy Tran and published by CRC Press. This book was released on 2017-11-22 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to its physical, chemical, and material properties, graphene has been widely studied both theoretically and experimentally since it was first synthesized in 2004. This book explores in detail the most up-to-date research in graphene-related systems, including few-layer graphene, sliding bilayer graphene, rippled graphene, carbon nanotubes, and adatom-doped graphene, among others. It focuses on the structure-, stacking-, layer-, orbital-, spin- and adatom-dependent essential properties, in which single- and multi-orbital chemical bondings can account for diverse phenomena. Geometric and Electronic Properties of Graphene-Related Systems: Chemical Bonding Schemes is excellent for graduate students and researchers, but understandable to undergraduates. The detailed theoretical framework developed in this book can be used in the future characterization of emergent materials.

Download or read book Decoration and Adsorption Enriched Essential Properties of Graphene Related Systems written by 林佑璁 and published by . This book was released on 2017 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Structural and Electrical Properties of Epitaxial Graphene Nanoribbons written by Sarah Elizabeth Bryan and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The objective of this research was to perform a systematic investigation of the unique structural and electrical properties of epitaxial graphene at the nanoscale. As the semiconductor industry faces increasing challenges in the production of integrated circuits, due to process complexity and scaling limitations, new materials research has come to the forefront of both science and engineering disciplines. Graphene, an atomically-thin sheet of carbon, was examined as a material which may replace or become integrated with silicon nanoelectronics. Specifically, this research was focused on epitaxial graphene produced on silicon carbide. This material system, as opposed to other types of graphene, holds great promise for large-scale manufacturing, and is therefore of wide interest to the academic and industrial community. In this work, high-quality epitaxial graphene production was optimized, followed by the process development necessary to fabricate epitaxial graphene nanoribbon transistors for electrical characterization. The structural and electrical transport properties of the nanoribbons were elucidated through a series of distinct experiments. First, the size-dependent conductivity of epitaxial graphene at the nanoscale was investigated. Next, the alleviation of the detrimental effects revealed during the size-dependent conductivity study was achieved through the selective functionalization of graphene with hydrogen. Finally, two techniques were developed to allow for the complementary doping of epitaxial graphene. All of the experiments presented herein reveal new and important aspects of epitaxial graphene at the nanoscale that must be considered if the material is to be adopted for use by the semiconductor industry.

Download or read book Electronic Properties of Graphene and Boron Nitride Nanoribbon Junctions written by Gihan Uthpala Panapitiya and published by . This book was released on 2013 with total page 87 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graphene, the most recently extracted allotrope of carbon has attracted the interest of the scientific community, due to its remarkable electronic properties. Even though the two dimensional undoped graphene is considered as a semiconductor without a band gap, its one dimensional counterpart, graphene nanoribbons, which are stripes of graphene with nanometer sized widths[1], posses a tunable band gap which depends on their widths. In this study, we mainly investigate the electronic properties of structures constructed using graphene nanoribbons to find the relationship between their band gaps and the corresponding structural and geometrical properties. The electronic band structures of both monolayer and bi-layer cross-like junctions are modeled using the p orbital tight binding method. It is shown that for a given structure, the shapes of the energy bands near the Fermi level depend on the dimensions of the structure to a considerable extent. Further, it is proven that the structural dimensions and the number of atoms on the zigzag edges of the nanoribbons have a significant effect on the magnitude of the direct band gap. This computational experiment is also extended to study the Borin Nitride-Boron Nitride and graphene-Boron Nitride bi-layer nano structures. It is shown that the patterns of band gap changes in Graphene-Boron Nitrde bi-layer systems with respect to certain geometrical parameters are similar to that in graphene-graphene systems. The results of this study provides a basis to fine tune the band gaps of monolayer and bi-layer junctions.

Download or read book Graphene Nanoribbons written by Luis Brey and published by Institute of Physics Publishing. This book was released on 2019-11-18 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book, leading editors and authors in the field review the fundamental properties and the current device technology. A one-stop handbook for researchers wanting to further utilise graphene nanoribbons and a valuable reference text for any interested materials and surface scientists, theoretical properties of graphene nanoribbons are introduced before concentrating on different fabrication methods and their properties out of different experimental characterizations.

Download or read book Rich Essential Properties of Graphene and Silicene related Systems written by 阮維康 and published by . This book was released on 2019 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Tailoring Electronic Structure and Properties of Graphene Using Functional Organic Molecules written by and published by . This book was released on 2013 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: Scientific and technological interest in graphene has rapidly grown because of the outstanding physical and electronic properties of this two-dimensional material. To fully realize its technological potential, it is important to engineer a band gap as well as the charge carrier concentration through doping. In this thesis, we present routes to address both these aspects. Graphene is a semimetal and therefore it does not have a technologically relevant band gap. To address this problem, it has been shown that sub-20 nm patterning can be used to open up a band gap in graphene through the quantum confinement effect. We present approaches for creating semiconducting nanoperforated graphene and graphene nanoribbons using block copolymer lithography, which addresses all of the following challenges simultaneously: (i) scalability, (ii) compatibility with the current manufacturing processes, (iii) high resolution, and (iv) pattern fidelity. By developing the materials and processes for the fabrication of sub-10 nm features over large areas, we study the structure-property relationships in nanopatterned graphene as a function of constriction width. We examine the limitations of top-down etching based fabrication methods in detail by examining the edge defect structures through Raman spectroscopy and electronic transport characterizations. These studies underline the importance of edge structure engineering in combination with patterning techniques to attain high quality semiconducting graphene. In the second part of the thesis, we demonstrate a strategy to effectively control doping in graphene without degradation of the electronic properties. We do so by noncovalently latching a photoisomerizable dipolar azobenzene derivative to graphene via [pi]-[pi] interaction to create stable chromophore/graphene hybrids. A reversible molecular transformation triggered by light was used as an additional handle to reversibly modulate charge carrier concentration while retaining high mobility of pristine graphene. As the molecules switch reversibly from trans to cis upon UV light illumination, the dipole moment changes, hence the extent of doping in graphene. Through experimental and theoretical studies, we develop mechanistic insight into the observed enhancement of Raman intensity from the chromophore attached to graphene.