Calculations and Simulations of Low-Dimensional Materials: Tailoring Properties for Applications

ISBN-13: 9783527349098 / Angielski / Twarda / 2022 / 320 str.

Chengwang Niu

Spis treści

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

O autorze

Ying Dai received her B.S. degree in 1984 and Ph.D. in 1998 from Shandong University. She joined the State Key Laboratory of Rare Earth Materials at Peking University as a post-doctoral researcher from 1998 to 2000. She became Full Professor in 2003 at School of Physics, Shandong University. Her current research interests mainly focus on electronic structures and related properties of semiconductors, such as topological states, excited-state properties and new physical effects, and on applications in such as photocatalysis, electrocatalysis, optoelectronics, and photovoltaics.Wei Wei obtained the Ph.D. degree in 2011 from Shandong University, and now is an associate professor of the School of Physics at the Shandong University. His research topics include excited-state properties and photo(chem)chemical properties of 2D material.Yandong Ma received his B.S. degree in 2009 and Ph.D. in 2014 at Shandong University under the supervision of Prof. Ying Dai. Afterwards he worked as a postdoc at Jacobs University. In 2016, he moved to Leipzig University as a postdoc. Since September of 2017, he joined Shandong University as a Full Professor. His research interests focus on the electronic and spintronic behaviors of two-dimensional materials.Chengwang Niu received his Ph.D. degree in 2013 from Shandong University and then moved as a post-doctoral to Research Center Jülich Germany from 2013 to 2018. He joined Shandong University as a professor in October 2018. His research interests are the materials modeling and simulation from density functional theory, special focus is on novel topological materials, topological phase transitions, electronic and magnetic properties of solids, surfaces, and interfaces, anomalous and spin Hall effects.