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.
General
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