Dynamical Properties In Nanostructured And Low Dimensional Materials

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.

The last few years have seen dramatic advances in the growth, fabrication and characterization of low-dimensional materials (such as graphene) and nanostructures (such as those formed from ultrathin films, wires, discs and other "dots"), formed either singly or in spatially periodic arrays. Most studies of these artificially engineered materials have been driven by their potential for device applications that involve smaller and smaller physical dimensions. In particular, the dynamical properties of these materials are of fundamental interest for the devices that involve high-frequency operation and/or switching. Consequently, the different excitations, vibrational, magnetic, optical, electronic, and so on, need to be understood from the perspective of how their properties are modified in finite structures especially on the nanometre length scale due to the presence of surfaces and interfaces. Recently, the patterning of nanoelements, into periodic and other arrays, has become a focus of intense activity, leading for example to photonic crystals and their analogues such as phononic and magnonic crystals where the control of the band gaps in the excitation spectrum is a basis for applications. The nonlinear properties of the excitations are increasingly a topic of interest, as well as the linear dynamics.

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.

Nowadays, with the improved abilities of computers, molecular modeling has become a powerful technique in computational chemistry with ever-increasing practical interests. At the moment, using effective algorithms along with powerful processors enables us to simulate systems, including thousands of atoms up to several microseconds. However, finding a balance between the computational costs and reliable results still remains a challenge. Two general approaches help us to reveal the behavior of these systems: quantum chemical calculations and molecular mechanics calculations. Quantum mechanics deals with physical phenomena as well as atoms behavior during chemical bonding and falls in the category of modern physics. In this book, two of the most practical quantum mechanics approaches are investigated: density functional theory (DFT) and density-functional tight-binding (DFTB).

Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures

The encyclopedia consists 13 subareas as follows: 1: Synthesis and Characterisation of Ionic Liquids (Section Editors: Prof. Fu-Wei Li and Prof. Zhen Li) 2: Physicochemical Properties of Ionic Liquids (Section Editors: Asso. Prof. Qing Zhou, Prof. Xingmei Lu and Prof. Xiaoyan Ji) 3: Computational and Theoretical Modeling of Ionic Liquids (Section Editors: Prof. Guang Feng and Prof. Peter T. Cummings) 4: Toxicology and Biodegradation of Ionic Liquids (Section Editors: Prof. Chunxi Li and Prof. Stefan Stolte) 5: Ionic Liquids in Electrochemistry (Section Editors: Prof. Yingying Lu, Prof. Houlong Zhuang and Prof. Chuan Zhao) 6. Ionic Liquids in Organic Reaction (Section Editors: Prof. Liang-Nian He and Prof. Bhalchandra M. Bhanage) 7. Ionic Liquids in Separation (Section Editors: Prof. Huabin Xing) 8. Ionic Liquids in Biomass and Biomolecules (Section Editors: Prof. Toshiyuki Itoh and Prof. Jian Sun) 9. Ionic Liquids in Materials Science (Section Editors: Prof. Sheng Dai and Prof. Tao Wang) 10. Ionic Liquids in Polymer Science (Section Editors: Asso. Prof. Jinming Zhang and Prof. Jun Zhang) 11. Ionic Liquids in Environmental Science (Section Editors: Prof. Tiancheng Mu, Prof. Arunprakash T. Karunanithi and Prof. Yingxiong Wang) 12. Ionic Liquids in Green Chemistry (Section Editors: Prof. Buxing Han and Prof. Peter Licence) 13. Emerging Applications of Ionic Liquids (Pharmacology, Food Science, Agriculture, Nuclear Science Technology, Optics) (Section Editors: Prof. Zhonghao Li and Prof. Maya Guncheva) This encyclopedia is systematic and comprehensive, with detailed descriptions about theory, technology, and industrial applications. This encyclopedia is valuable for students, researchers and industrial players, giving them a quick understanding and overview of ionic liquids in various aspects.

This book surveys recent theoretical and experimental studies of optical properties of low-dimensional materials. As an extended version of Optical Properties of Low-Dimensional Materials (Volume 1, published in 1995 by World Scientific), Volume 2 covers a wide range of interesting low-dimensional materials including both inorganic and organic systems, such as disordered polymers, deformable molecular crystals, dilute magnetic semiconductors, SiGe/Si short-period superlattices, GaAs quantum wires, semiconductor microcavities, and photonic crystals. There are excellent review articles by promising researchers in each field. All the materials introduced in this book yield new optical phenomena originating from their mesoscopic and low-dimensional electronic characters and electron-lattice couplings, which offer a new research field of materials science as well as condensed-matter and optical physics. Volumes 1 and 2 are interrelated but can be read independently. They are pitched at the level of graduate students and are useful to both students and scientists. Contents:Excitons and Nonlinear Excitations in Organic Conjugated Systems (K Harigaya)Lattice Dynamics of Disordered Materials (Y Kanematsu)Photoinduced Phase Transitions and Cooperative Phenomena (S Koshihara)Spin-Induced Optical Phenomena in Diluted Magnetic Semiconductors (S Takeyama)Radiative Recombination in Strained SiGe-Based Microstructures (S Fukatsu)GaAs Quantum Wires (T Sogawa)Microcavity Effects in Semiconductor Quantum Wells (Y Kadoya)Photonic Crystals (K Sakoda) Readership: Researchers and students in condensed matter/solid state physics, semiconductors, applied physics and materials science. keywords:Low Dimension;Optical Property;Materials Science;Nanoscience;Quantum Confinement;Exciton;Phonon;Photon;Electronic Structure;Lattice Structure