Bonding, Structure, and Performance of Two-Dimensional Materials

This book presents a wealth of results obtained by first-principles calculations, molecular dynamics simulations, and tight-binding modeling on two-dimensional covalent bonding and the resulting formation of 2D materials. It focuses on the bonding-structure relationships derived from the periodicity of the electron configuration and atomic size, paying particular attention to the overall stability of various elemental and composite networks. In addition to accurate first-principles calculations, the book uses a linear combination of atomic orbitals and the hybridization concept to gain deep insight into the rules governing the world of 2D chemistry.