First-principles calculations for cathode, electrolyte and anode battery materials / edited by Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Ngoc Thanh Thuy Tran, Ming-Fa Lin.
Contributor(s): Nguyen, Thi Dieu Hien [editor.]
| Lin, Shih-Yang [editor.] | Chung, Hsien-Ching [editor.] | Tran, Ngoc Thanh Thuy [editor.] | Lin, Ming-Fa [editor.] | Institute of Physics (Great Britain) [publisher.].
Material type: 
BookSeries: IOP (Series)Release 21: ; IOP ebooks2021 collection: Publisher: Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) : IOP Publishing, [2021]Description: 1 online resource (various pagings) : illustrations (some color).Content type: text Media type: electronic Carrier type: online resourceISBN: 9780750346856; 9780750346849.Subject(s): Electric batteries -- Materials | Electric batteries -- Mathematics | Materials science | MaterialsAdditional physical formats: Print version:: No titleDDC classification: 621.31242 Online resources: Click here to access online Also available in print."Version: 202112"--Title page verso.
Includes bibliographical references.
1. Introduction / Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 2. Theoretical frameworks on geometric, electronic, magnetic, and optical properties / Thi Dieu Hien Nguyen, Vo Khuong Dien, Hai Duong Pham, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu and Ming-Fa Lin -- 3. Experimental measurements / Shih-Yang Lin, Vo Khuong Dien, Wei-Bang Li, Thi Dieu Hien Nguyen, Hsien-Ching Chung, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 4. Diversified quasiparticle properties of four-component LixFePO4 cathode materials in Li+-based batteries : charges and spins / Shih-Yang Lin, Thi Dieu Hien Nguyen, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 5. Unusual phenomena in AlCl4---/AlCl4-graphite intercalation compounds of aluminum-ion-based battery cathodes / Ming-Hsiu Tsai, Wei-Bang Li, Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 6. FeCl3 graphite intercalation compounds : iron-ion-based battery cathodes / Wei-Bang Li, Shih-Yang Lin, Thi Dieu Hien Nguyen, Hsien-Ching Chung, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 7. Unique phenomena of vanadium pentoxide in iron-ion-based battery cathodes / Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 8. Comprehensive understanding of electronic and optical properties of Li2SiO3 compound / Nguyen Thi Han, Vo Khuong Dien, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li,Ngoc Thanh Thuy Tran, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 9. Screening electrolyte additives for lithium-ion batteries / Ngoc Thanh Thuy Tran, Phung My Loan Le, Wen-Dung Hsu, Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 10. Graphite alkali-atom-/ion-intercalated compounds : Li+-related-based battery anodes / Wei-Bang Li, Shih-Yang Lin, Thi Dieu Hien Nguyen, Hsien-Ching Chung, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 11. Diversified phenomena in sodium-, potassium- and magnesium-related graphite intercalation compounds / Wei-Bang Li, Shih-Yang Lin, Thi Dieu Hien Nguyen, Hsien-Ching Chung, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 12. Essential electronic properties of armchair carbon and silicon nanotubes / Hsin-Yi Liu, Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hai Duong Pham and Ming-Fa Lin -- 13. Electronic and optical properties of lithium ion-based battery anode : lithium titanium oxide ternary Li4Ti5O12 / Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 14. Bulk and monolayer transition metal dichalcogenides group IV MX2 (M = Zr, Hf; X = S, Se, or Te) / Thi My Duyen Huynh, Hai Duong Pham, Thi Dieu Hien Nguyen, Vo Khuong Dien, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu and Ming-Fa Lin -- 15. Electric characteristics evaluation of Li-ion repurposed batteries based on UL 1974 / Hsien-Ching Chung, Thi Dieu Hien Nguyen, Shih-Yang Lin, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 16. Engineering integrations, potential applications, and outlooks of Li-ion battery industry / Hsien-Ching Chung, Thi Dieu Hien Nguyen, Shih-Yang Lin, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 17. Concluding remarks / Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 18. Open issues and potential applications / Thi Dieu Hien Nguyen, Shih-Yang Lin, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin -- 19. Battery-related problems / Shih-Yang Lin, Thi Dieu Hien Nguyen, Hsien-Ching Chung, Wei-Bang Li, Ngoc Thanh Thuy Tran, Nguyen Thi Han, Hsin-Yi Liu, Hai Duong Pham and Ming-Fa Lin.
This book presents the first-principles calculations that can be used to determine the essential chemical and physical characteristics of cathode, electrolyte and anode materials in ion-based batteries. Methods for evaluating and analysing the first-principles results are discussed in detail, and the theoretical framework is illustrated for each system.
Researchers and senior graduate students working on the theory and fundamental science of battery materials, including materials scientists and condensed matter physicists, particularly in the areas of computation and simulation.
Also available in print.
Mode of access: World Wide Web.
System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader.
Thi Dieu Hien Nguyen achieved her PhD in Physics in July 2021 from National Cheng Kung University (NCKU), Taiwan. Currently, she works as a postdoctoral researcher at NCKU. Shih-Yang Lin received his PhD in physics in 2015 from the National Cheng Kung University (NCKU), Taiwan. Since 2015, he has been a postdoctoral researcher at NCKU and NCU. Hsien-Ching Chung received the PhD degree in physics from National Cheng Kung University, Tainan, Taiwan, in 2011. He is the RD Manager in Super Double Power Technology Co., Ltd, Taiwan. Ngoc Thanh Thuy Tran obtained her PhD in physics in 2017 from the National Cheng Kung University (NCKU), Taiwan. Afterward, she began to work as a postdoctoral researcher and then an assistant researcher at Hierarchical Green- Energy Materials (Hi-GEM) Research Center, NCKU.Ming-Fa Lin is a distinguished professor in the Department of Physics, National Cheng Kung University, Taiwan. He received his PhD in physics in 1993 from the National Tsing-Hua University, Taiwan.
Title from PDF title page (viewed on January 18, 2022).
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