This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book al...

This book deals with the theoretical and computational simulation of monoperiodic nanostructures for different classes of inorganic substances. These simulations are related to their synthesis and experimental studies. A theoretical formalism is developed to describe 1D nanostructures with symmetric shapes and morphologies. Three types of models are considered for this aim: (i) nanotubes (rolled from 2D nanolayers and described within the formalism of line symmetry groups); (ii) nanoribbon...

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid –sta...

This book presents cutting-edge research on a wide range of nanotechnology techniques and applications. It features contributions from scientists who participated in the International Summer School “Nanotechnology: From Fundamental Research to Innovations” in Bukovel, Ukraine on August 26 – September 2, 2012 funded by the European Commission FP7 project Nanotwinning implemented by the Institute of Physics of National Academy of Sciences of Ukraine and partner institutions: University of Ta...

This book aims to present the different aspects of electrospinning for designing and fabricating high performing materials for sensors applied in gaseous and liquid environments. Since electrospinning is a versatile and inexpensive manufacturing technology, the book emphasizes the industrial applications perspective. The volume is an edited collection of the most recent and encouraging results concerning advanced nanostructured (bio) sensors. The feats achieved by these sensors range from ...

The thesis by Mercè Pacios exploits properties of carbon nanotubes to design novel nanodevices. The prominent electrochemical properties of carbon nanotubes are used to design diverse electrode configurations. In combination with the chemical properties and (bio)functionalization versatility, these materials prove to be very appropriate for the development of electrochemical biosensors. Furthermore, this work also evaluates the semiconductor character of carbon nanotubes (CNT) for sensor t...

A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances...

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger sc...

This book gathers the proceedings of the plenary sessions, invited lectures, and papers presented at the International Conference on Recent Trends in Materials Science and Applications (ICRTMSA-2016). It also features revealing presentations on various aspects of Materials Science, such as nanomaterials, photonic crystal fibers, quantum dots, thin film techniques, crystal growth, spectroscopic procedures, fabrication and characterisation of new materials / compounds with enhanced ...

This book addresses the control of electronic properties of carbon nanotubes. It presents thermodynamic calculations of the formation of impurities and defects in the interaction of nanotubes with hydrogen, oxygen, nitrogen and boron, based on theoretical models of the formation of defects in carbon nanotubes. It is shown that doping and adsorption lead to changes in the electronic structure of the tubes as well as to the appearance of impurity states in the HOMO-LUMO gap. The book present...

In this book, a modern unified theory of dispersion forces on atoms and bodies is presented which covers a broad range of different aspects and scenarios. Macroscopic quantum electrodynamics is applied within the context of dispersion forces. In contrast to the normal-mode quantum electrodynamics traditionally used to study dispersion forces, the new approach allows to consider realistic material properties including absorption and is flexible enough to be applied to a broad range of geome...

This book reflects the current status of theoretical and experimental research of graphene based nanostructures, in particular quantum dots, at a level accessible to young researchers, graduate students, experimentalists and theorists. It presents the current state of research of graphene quantum dots, a single or few monolayer thick islands of graphene. It introduces the reader to the electronic and optical properties of graphite, intercalated graphite and graphene, including Dirac fermio...