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 bondingstructure 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.

Of special interest are the novel properties of 2D materials based on quantum confinement effects in two dimensions and the large surface-to-volume ratio. The book gives an introduction to the fundamental principles of 2D structure formation for newcomers in this field, simultaneously providing a comprehensive source of data on bonding strength, geometrical structure, and nanomechanics characterizing the manifold of chemical networks in two-dimensional space. This book is a valuable reference for material scientists, chemists, and any researcher in the field of 2D materials and low-dimensional nanoscience.

Covers the basic theoretical knowledge needed to understand elemental bonding and structure formation in two-dimensional space Focuses on bondingstructure relationships in of monolayers with attention given to thermodynamical, dynamical, mechanical, and thermal stability Presents a wealth of results obtained by first-principles calculations, molecular dynamics simulations, and tight-binding modeling

Auteur

Prof. Dr. Peter Hess is professor (emeritus) of Physical Chemistry at the University of Heidelberg since 1980. He was research fellow at the Department of Chemistry, University of California (Berkeley, USA) and was regularly visiting scientist at Almaden Research Laboratories, IBM, San Jose, California. He has been active in several research field, e.g., laser-based photoacoustics in gases, used in trace gas analysis. Moreover, he employed laser-based surface acoustic waves (SAWs), wedge waves (WWs), and solitary surface waves to study all-optical nondestructive evaluation (NDE), linear elastic properties, and fracture strength of solids. As professor emeritus he became interested in bonding, structure, and mechanical behavior of 2D materials, which is his current research topic. He produced more than 300 publications in scientific journals and was editor or co-editor of 6 books. He has received the James Smith prize of the International Photoacoustic and Photothermal Association (IPPA) for the application of linear and nonlinear elastic waves in materials science and served as director of the Technology Transfer Center Heidelberg for laser processing.

Contenu

Introduction.- Elemental Group-IIA Monolayers.- Elemental Group-IIIA Monolayers.- Groups IIAIVA, IIIAIVA.- Elemental Group-IVA Monolayers.- Binary Heteroelemental Group IVA-IVA Monolayers.- Group IIIA-VA Monolayers.- Group-VA Monolayers.- Binary Group VA-VA Monolayers.- Group IVA-VA Monolayers.- Group VIA Monolayers.- Binary Group IIIA-VIA Monolayers.- Group IVA-VIA Monolayers.- Group IVB Transition-Metal Dichalcogenide Monolayers.- Group VB-VIA Monolayers.- Group VIB Transition-Metal Dioxide and Dichalcogenide Monolayers.- Group XB Transition-Metal Dioxide and XB Dichalcogenide Monolayers.- Summary and Outlook.