Diverse Quasiparticle Properties of Emerging Materials (eBook, ePUB)

First-Principles Simulations
Redaktion: Hanh, Tran Thi Thu; Lin, Ming-Fa; Nguyen, Thi Dieu Hien; Ho, Ching-Hong; Tran, Ngoc Thanh Thuy; Dien, Vo Khuong

• Format: ePub

Produktbeschreibung

This book explores the rich and unique quasiparticle properties of emergent materials through a VASP-based theoretical framework. It illustrates various quasiparticle phenomena and considers such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulators, and many others as well as applications.

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Produktdetails

• Verlag: Taylor & Francis
• Seitenzahl: 432
• Erscheinungstermin: 7. Oktober 2022
• Englisch
• ISBN-13: 9781000738667
• Artikelnr.: 65481693

Autorenporträt

Tran Thi Thu Hanh is a lecturer at the Ho Chi Minh City University of Technology, Vietnam National University, Ho Chi Minh City, Vietnam. Dr. Hanh graduated with bachelor's and master's degrees from Voronezh State University, Russia, and a doctorate from Tokyo University, Japan. Her main area of research is computational physics using molecular dynamics and density functional theory methods. Dr. Hanh focuses on studying the interaction, the hydrogen storage of fuel cells, and the electronic properties, structural deformation of 2D, 3D materials, with many quality articles published in international journals. Find her on the web at https://fas.hcmut.edu.vn/personnel/thuhanhsp. Vo Khuong Dien is a Ph.D. student at the Department of Physics, National Cheng Kung University. His research interests include the electronic and optical properties of low-dimensional group materials and first-principles calculations. Ngoc Thanh Thuy Tran obtained her Ph.D. in physics in 2017 from the National Cheng Kung University (NCKU), Taiwan. Afterward, she worked as a postdoctoral researcher and then was promoted to assistant researcher at Hierarchical Green-Energy Materials (Hi-GEM) Research Center, NCKU. Her scientific interest is focused on the fundamental (electronic, magnetic, and thermodynamic) properties of 2D materials and rechargeable battery materials by means of the first-principles calculations. Ching-Hong Ho is a postdoctoral researcher in the Department of Physics, National Cheng Kung University, Taiwan, where he received his Ph.D. in 2011. His research area of interest is theoretical condensed matter physics with a focus on topological aspects in the past years. Thi Dieu Hien Nguyen achieved her Ph.D. in physics in July 2021 from National Cheng Kung University (NCKU), Taiwan Currently, she works as a postdoctoral researcher at NCKU. Her academic research focuses on essential properties of 1D, 2D materials and anode, cathode, electrolyte battery materials using first-principles calculations. Ming-Fa Lin is a distinguished professor in the Department of Physics, National Cheng Kung University, Taiwan. He received his Ph.D. in physics in 1993 from the National Tsing-Hua University, Taiwan. His main scientific interests focus on essential properties of carbon related materials and low-dimensional systems.

Inhaltsangabe

Chapter 1 Introduction 1 Tran Thi Thu Hanh
Jhao-Ying Wu
Vo Khuong Dien
Thi Dieu Hien Nguyen
Thi My Duyen Huynh
and Ming-Fa Lin Chapter 2 The Theoretical Frameworks Chiun-Yan Lin
Ching-Hong Ho
Jhao-Ying Wu
Vo Khuong Dien
Wei-Bang Li
and Ming-Fa Lin Chapter 3 Experimental Measurements Jhao-Ying Wu
Nguyen Thanh Tien
Phuoc Huu Le
Thi Dieu Hien Nguyen
Vo Khuong Dien
and Ming-Fa Lin Chapter 4 Electronic and Transport Properties of the Sawtooth- Sawtooth Penta-Graphene Nanoribbons Nguyen Thanh Tien
Pham Thi Bich Thao
and Ming-Fa Lin Chapter 5 Feature-Rich Quasiparticle Properties of Halogen-Adsorbed Silicene Nanoribbons Duy Khanh Nguyen
Vo Duy Dat
Vo Van On
and Ming-Fa Lin Chapter 6 Essential Properties of Metals/Transition Metals-Adsorbed Graphene Nanoribbons Ngoc Thanh Thuy Tran
Shih-Yang Lin
and Ming Fa-Lin Chapter 7 Essential Electronic Properties of Zigzag Carbon and Silicon Nanotubes Hsin-Yi Liu and Ming-Fa Lin Chapter 8 Electronic and Optical Properties of Boron-/Carbon- and Nitrogen-Substituted Silicene Systems: A DFT Study Jheng-Hong Shih
Jhao-Ying Wu
and Ming-Fa Lin Chapter 9 Adatom-Enriched Essential Quasiparticle Properties of Germanene: A DFT Study Yu-Ming Wang
Jhao-Ying Wu
Thi Dieu Hien Nguyen
Vo Khuong Dien
Thi My Duyen Huynh and Ming-Fa Lin Chapter 10 Excitonic and Spin-Orbit Coupling Effects on Optical Properties of Plumbene Adsorption Hydrogen Vo Khuong Dien
Nguyen Thi Han
and Ming-Fa Lin Chapter 14 Geometric and Electronic Properties of Ternary Compound Li4Ti5O12 Thi Dieu Hien Nguyen and Ming-Fa Lin Chapter 11 Diverse Phenomena in Stage 2/3/4 in AlCl4/Al2Cl7 Graphite Intercalation Compounds of Aluminum-Ion- Based Battery Cathodes Wei-Bang Li
Ming-Hsiu Tsai
and Ming-Fa Lin Chapter 12 Geometric and Electronic Properties of LiFeO2 Vo Khuong Dien
Nguyen Thi Han
and Ming-Fa Lin Chapter 13 Stacking-Enriched Quasiparticle Properties of Bilayer HfX2 (X = S
Se
or Te) Thi My Duyen Huynh and Ming-Fa Lin Chapter 15 Zero-Point Vibration of the Adsorbed Hydrogen on the Pt(110) Surface Tran Thi Thu Hanh and Nguyen Van Hoa Chapter 16 Magnetotransport Properties of Bismuth Chalcogenide Topological Insulators Le Thi Cam Tuyen
Phuoc Huu Le
and Ming-Fa Lin Chapter 17 Applications Thi Dieu Hien Nguyen
Vo Khuong Dien
Thi My Duyen Huynh
Wei-Bang Li
Nguyen Thanh Tien
Phuoc Huu Le
and Ming-Fa Lin Chapter 18 Concluding Remarks Vo Khuong Dien
Tran Thi Thu Hanh
Wei-Bang Li
Ngoc Thanh Thuy Tran
Duy Khanh Nguyen
and Ming-Fa Lin Chapter 19 Future Challenges Ching-Hong Ho
Vo Khuong Dien
Nguyen Thi Han
Tran Thi Thu Hanh
Ngoc Thanh Thuy Tran
and Ming-Fa Lin Chapter 20 Problems Nguyen Thi Han
Vo Khuong Dien
Ching-Hong Ho
Nguyen Thanh Tien
Phuoc Huu Le
and Ming-Fa Lin