Calculations and Simulations of Low-Dimensional Materials

Calculations and Simulations of Low-Dimensional Materials PDF

Author: Ying Dai

Publisher: John Wiley & Sons

Published: 2022-08-05

Total Pages: 260

ISBN-13: 3527832122

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Calculations and Simulations of Low-Dimensional Materials A comprehensive guide to methods for calculating and simulating the properties of low-dimensional materials Two-dimensional materials are those, such as graphene and 2D oxides, whose thickness is so small as to approach the atomic scale. Potential applications for these materials exist in an enormous range of scientific and industrial fields. A previous era of low-dimensional materials focused on direct experimentation to demonstrate the properties, reactions, and potential applications of these materials; however, in recent years, calculation and simulation have been shown to have considerable predictive power, reducing the period between design and deployment of these potentially critical materials. Calculations and Simulations of Low-Dimensional Materials offers the first comprehensive survey of this exciting new approach to low-dimensional materials. It guides readers through the foundational physics and through a range of calculation and simulation methods, each with different predictive capacities. Mastery of these methods will enable readers to narrowly tailor the properties of particular materials towards real-world applications, providing confidence in the underlying mechanics and in the range of possible outcomes. Calculations and Simulations of Low-Dimensional Materials readers will also find: Broad coverage of material properties, including electronic, spin, magnetic, photonic, optical, electrochemical and transport properties Discussion of potential applications in areas such as electronics, spintronics, and valleytronics Examination of further potential applications regarding quantum Hall phase, photonics, optoelectronics, multiferroic, and photocatalysis Calculations and Simulations of Low-Dimensional Materials is a useful reference for materials scientists, electrochemists, inorganic chemists, physical chemists, photochemists, and the libraries that support these professions.

Calculations and Simulations of Low-Dimensional Materials

Calculations and Simulations of Low-Dimensional Materials PDF

Author: Ying Dai

Publisher: John Wiley & Sons

Published: 2022-08-08

Total Pages: 260

ISBN-13: 352734909X

DOWNLOAD EBOOK →

Calculations and Simulations of Low-Dimensional Materials A comprehensive guide to methods for calculating and simulating the properties of low-dimensional materials Two-dimensional materials are those, such as graphene and 2D oxides, whose thickness is so small as to approach the atomic scale. Potential applications for these materials exist in an enormous range of scientific and industrial fields. A previous era of low-dimensional materials focused on direct experimentation to demonstrate the properties, reactions, and potential applications of these materials; however, in recent years, calculation and simulation have been shown to have considerable predictive power, reducing the period between design and deployment of these potentially critical materials. Calculations and Simulations of Low-Dimensional Materials offers the first comprehensive survey of this exciting new approach to low-dimensional materials. It guides readers through the foundational physics and through a range of calculation and simulation methods, each with different predictive capacities. Mastery of these methods will enable readers to narrowly tailor the properties of particular materials towards real-world applications, providing confidence in the underlying mechanics and in the range of possible outcomes. Calculations and Simulations of Low-Dimensional Materials readers will also find: Broad coverage of material properties, including electronic, spin, magnetic, photonic, optical, electrochemical and transport properties Discussion of potential applications in areas such as electronics, spintronics, and valleytronics Examination of further potential applications regarding quantum Hall phase, photonics, optoelectronics, multiferroic, and photocatalysis Calculations and Simulations of Low-Dimensional Materials is a useful reference for materials scientists, electrochemists, inorganic chemists, physical chemists, photochemists, and the libraries that support these professions.

Progress in Nanoscale and Low-Dimensional Materials and Devices

Progress in Nanoscale and Low-Dimensional Materials and Devices PDF

Author: Hilmi Ünlü

Publisher: Springer Nature

Published: 2022-10-18

Total Pages: 939

ISBN-13: 3030934608

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This book describes most recent progress in the properties, synthesis, characterization, modelling, and applications of nanomaterials and nanodevices. It begins with the review of the modelling of the structural, electronic and optical properties of low dimensional and nanoscale semiconductors, methodology of synthesis, and characterization of quantum dots and nanowires, with special attention towards Dirac materials, whose electrical conduction and sensing properties far exceed those of silicon-based materials, making them strong competitors. The contributed reviews presented in this book touch on broader issues associated with the environment, as well as energy production and storage, while highlighting important achievements in materials pertinent to the fields of biology and medicine, exhibiting an outstanding confluence of basic physical science with vital human endeavor. The subjects treated in this book are attractive to the broader readership of graduate and advanced undergraduate students in physics, chemistry, biology, and medicine, as well as in electrical, chemical, biological, and mechanical engineering. Seasoned researchers and experts from the semiconductor/device industry also greatly benefit from the book’s treatment of cutting-edge application studies.

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile PDF

Author: Sadasivan Shankar

Publisher: Springer Nature

Published: 2021-01-25

Total Pages: 1344

ISBN-13: 3030187780

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This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.

Low-Dimensional and Nanostructured Materials and Devices

Low-Dimensional and Nanostructured Materials and Devices PDF

Author: Hilmi Ünlü

Publisher: Springer

Published: 2015-12-01

Total Pages: 688

ISBN-13: 3319253409

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This book focuses on the fundamental phenomena at nanoscale. It covers synthesis, properties, characterization and computer modelling of nanomaterials, nanotechnologies, bionanotechnology, involving nanodevices. Further topics are imaging, measuring, modeling and manipulating of low dimensional matter at nanoscale. The topics covered in the book are of vital importance in a wide range of modern and emerging technologies employed or to be employed in most industries, communication, healthcare, energy, conservation , biology, medical science, food, environment, and education, and consequently have great impact on our society.

Organic and Inorganic Low-Dimensional Crystalline Materials

Organic and Inorganic Low-Dimensional Crystalline Materials PDF

Author: Pierre Delhaes

Publisher: Springer Science & Business Media

Published: 2013-12-01

Total Pages: 488

ISBN-13: 1489920919

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The research of unitary concepts in solid state and molecular chemistry is of current interest for both chemist and physicist communities. It is clear that due to their relative simplicity, low dimensional materials have attracted most of the attention. Thus, many non-trivial problems were solved in chain systems, giving some insight into the behavior of real systems which would otherwise be untractable. The NATO Advanced Research Workshop on "Organic and Inorganic Low-Dimensional Crystalline Materials" was organized to review the most striking electronic properties exhibited by organic and inorganic sytems whose space dimensionality ranges from zero (Od) to one (1d), and to discuss related scientific and technological potentials. The initial objectives of this Workshop were, respectively: i) To research unitary concepts in solid state physics, in particular for one dimensional compounds, ii) To reinforce, through a close coupling between theory and experiment, the interplay between organic and inorganic chemistry, on the one hand, and solid state physics on the other, iii) To get a salient understanding of new low-dimensional materials showing "exotic" physical properties, in conjunction with structural features.

Emergent Superconductivity in Low Dimensions

Emergent Superconductivity in Low Dimensions PDF

Author: Diane Ansermet

Publisher: Springer

Published: 2018-11-19

Total Pages: 165

ISBN-13: 9811329419

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This book explores the relationship between electronic correlations, dimensionality, inhomogeneities, and superconductivity in low-dimensional systems by studying single crystals of the quasi-one-dimensional Na2–δMo6Se6, composed of MoSe filaments weakly coupled by Na atoms and subject to intrinsic disorder (δ > 0). It shows that the Na2-δMo6Se6 displays strong electronic correlations in its normal state, whereas a superconducting ground state emerges from Anderson localized electrons. Two novel behaviors of the superconducting state are observed: first, a disorder induced enhancement of the superconducting transition temperature; second, a reentrant phase coherence with increasing temperature, magnetic field, and current. It also analyzes the intrinsic properties of Na2-δMo6Se6 are analyzed to offer a thorough understanding of these phenomena. The emergence of superconductivity in such low-dimensional systems provides a fruitful playground to explore electronic order and correlations.

Nano/Microscale Heat Transfer

Nano/Microscale Heat Transfer PDF

Author: Zhuomin M. Zhang

Publisher: Springer Nature

Published: 2020-06-23

Total Pages: 780

ISBN-13: 3030450392

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This substantially updated and augmented second edition adds over 200 pages of text covering and an array of newer developments in nanoscale thermal transport. In Nano/Microscale Heat Transfer, 2nd edition, Dr. Zhang expands his classroom-proven text to incorporate thermal conductivity spectroscopy, time-domain and frequency-domain thermoreflectance techniques, quantum size effect on specific heat, coherent phonon, minimum thermal conductivity, interface thermal conductance, thermal interface materials, 2D sheet materials and their unique thermal properties, soft materials, first-principles simulation, hyperbolic metamaterials, magnetic polaritons, and new near-field radiation experiments and numerical simulations. Informed by over 12 years use, the author’s research experience, and feedback from teaching faculty, the book has been reorganized in many sections and enriched with more examples and homework problems. Solutions for selected problems are also available to qualified faculty via a password-protected website.• Substantially updates and augments the widely adopted original edition, adding over 200 pages and many new illustrations;• Incorporates student and faculty feedback from a decade of classroom use;• Elucidates concepts explained with many examples and illustrations;• Supports student application of theory with 300 homework problems;• Maximizes reader understanding of micro/nanoscale thermophysical properties and processes and how to apply them to thermal science and engineering;• Features MATLAB codes for working with size and temperature effects on thermal conductivity, specific heat of nanostructures, thin-film optics, RCWA, and near-field radiation.

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