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.
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