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First-principles calculations for cathode, electrolyte and anode battery materials /
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 th...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , , , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) :
IOP Publishing,
[2021]
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| Colección: | IOP (Series). Release 21.
IOP ebooks. 2021 collection. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 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.