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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Yes, you can access Calculations and Simulations of Low-Dimensional Materials by Ying Dai, Wei Wei, Yandong Ma, Chengwang Niu in PDF and/or ePUB format, as well as other popular books in Technology & Engineering & Materials Science. We have over one million books available in our catalogue for you to explore.

Information

Publisher

Wiley-VCH

Year

2022

ISBN

9783527832125

Edition

Topic

Technology & Engineering

Subtopic

Materials Science

Index

Technology & Engineering

Cover
Table of Contents
Title Page
Copyright
Preface
1 An Introduction to Density Functional Theory (DFT) and Derivatives
2 New Physical Effects Based on Band Structure
3 Ferromagnetic Order in Two‐ and One‐Dimensional Materials
4 Two‐Dimensional Topological States
5 Calculation of Excited‐State Properties
6 Charge Carrier Dynamics from Simulations
7 Simulations for Photocatalytic Materials
8 Simulations for Electrochemical Reactions
Index
End User License Agreement