Calculations and Simulations of Low-Dimensional Materials - Tailoring Properties for Applications
Verlag | Wiley-VCH |
Auflage | 2022 |
Seiten | 256 |
Format | 17,6 x 1,7 x 25,3 cm |
Gewicht | 642 g |
Artikeltyp | Englisches Buch |
ISBN-10 | 352734909X |
EAN | 9783527349098 |
Bestell-Nr | 52734909A |
In contrast to the existing books, where conventional simulations for traditional materials are usually presented, the developed methods for novel materials are comprehensively reviewed in this book.
Inhaltsverzeichnis:
1 An Introduction to Density Functional Theory (DFT) and Derivatives2 New Physical Effects Based on Band Structure3 Ferromagnetic Order in Two- and One-Dimensional Materials4 Two-Dimensional Topological States5 Calculation of Excited-State Properties6 Charge Carrier Dynamics from Simulations7 Simulations for Photocatalytic Materials8 Simulations for Electrochemical Reactions