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.

Ying Dai, PhD, is a full professor at the School of Physics at Shandong University. She received her PhD in 1998 from the department of Chemistry at Shandong University before working as a post-doctoral researcher at the State Key Laboratory of Rare Earth Materials at Peking University.

Wei Wei, PhD, is an full professor at School of Physics at the Shandong University. He received his PhD from the same institution in 2011 and as a postdoc at Ulm University.

Yandong Ma, PhD, is a full professor at Shandong University. He received his PhD in 2014 at Shandong University and as a postdoc at Jacobs University and Leipzig University.

Chengwang Niu, PhD, is a full professor at Shandong University. He received his PhD in 2013 from Shandong University before completing a post-doctoral researcher at the Research Center Jülich Germany.