{"title":"Molecular Effects of Functional Polymer Binders on Li+ Transport on the Cathode Surface within Lithium-Ion Batteries","authors":"Kun-You Chen, Chi-cheng Chiu","doi":"10.1201/9780429466281-2","DOIUrl":"https://doi.org/10.1201/9780429466281-2","url":null,"abstract":"","PeriodicalId":118393,"journal":{"name":"Green Energy Materials Handbook","volume":"74 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133528138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ngoc Thanh Thuy Tran, C. Kuo, H. Pham, S. Lin, Ming-Fa Lin
{"title":"Diversified Essential Properties in Transition Metal–Adsorbed Graphene","authors":"Ngoc Thanh Thuy Tran, C. Kuo, H. Pham, S. Lin, Ming-Fa Lin","doi":"10.1201/9780429466281-6","DOIUrl":"https://doi.org/10.1201/9780429466281-6","url":null,"abstract":"","PeriodicalId":118393,"journal":{"name":"Green Energy Materials Handbook","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132385477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Silicon-Nanowire-Based Hybrid Solar Cells","authors":"Ilham Ramadhan Putra, P. Singh, Chia-Yun Chen","doi":"10.1201/9780429466281-12","DOIUrl":"https://doi.org/10.1201/9780429466281-12","url":null,"abstract":"","PeriodicalId":118393,"journal":{"name":"Green Energy Materials Handbook","volume":"32 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128699585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shih‐Yang Lin, Wei-Bang Li, Ngoc Thanh Thuy Tran, Wen-Dung Hsu, Hsin-yi Liu, F. Ming
{"title":"Essential Properties of Li/Li+ Graphite-Intercalation Compounds","authors":"Shih‐Yang Lin, Wei-Bang Li, Ngoc Thanh Thuy Tran, Wen-Dung Hsu, Hsin-yi Liu, F. Ming","doi":"10.1201/9780429466281-3","DOIUrl":"https://doi.org/10.1201/9780429466281-3","url":null,"abstract":"The essential properties of graphite-based 3D systems are thoroughly investigated by the first-principles method. Such materials cover a simple hexagonal graphite, a Bernal graphite, and the stage-1 to stage-4 Li/Li$^+$ graphite intercalation compounds. The delicate calculations and the detailed analyses are done for their optimal stacking configurations, bong lengths, interlayer distances, free electron $&$ hole densities, Fermi levels, transferred charges in chemical bondings, atom- or ion-dominated energy bands, spatial charge distributions and the significant variations after intercalation, Li-/Li$^+$- $&$ C-orbital-decomposed DOSs. The above-mentioned physical quantities are sufficient in determining the critical orbital hybridizations responsible for the unusual fundamental properties. How to dramatically alter the low-lying electronic structures by modulating the quest-atom/quest-ion concentration is one of focuses, e.g., the drastic changes on the Fermi level, band widths, and number of energy bands. The theoretical predictions on the stage-n-dependent band structures could be examined by the high-resolution angle-resolved photoemission spectroscopy (ARPES). Most important, the low-energy DOSs near the Fermi might provide the reliable data for estimating the free carrier density due to the interlayer atomic interactions or the quest-atom/quest-ion intercalation. The van Hove singularities, which mainly arise from the critical points in energy-wave-vector space, could be directly examined by the experimental measurements of scanning tunneling spectroscopy (STS). Their features should be very useful in distinguishing the important differences among the stage-$n$ graphite intercalation compounds, and the distinct effects due to the atom or ion decoration.","PeriodicalId":118393,"journal":{"name":"Green Energy Materials Handbook","volume":"55 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126503113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
D. K. Nguyen, Shih‐Yang Lin, Ngoc Thanh Thuy Tran, Hsin-yi Liu, Ming-Fa Lin
{"title":"Rich Essential Properties of Si-Doped Graphene","authors":"D. K. Nguyen, Shih‐Yang Lin, Ngoc Thanh Thuy Tran, Hsin-yi Liu, Ming-Fa Lin","doi":"10.1201/9780429466281-5","DOIUrl":"https://doi.org/10.1201/9780429466281-5","url":null,"abstract":"A theoretical framework, which is under the first-principles calculations, is developed to fully explore the dramatic changes of essential properties due to the silicon-atom chemical modifications on monolayer graphenes. For the Si-chemisorption and Si-substituted graphenes, the guest-atom-diversified geometric structures, the Si- and C-dominated energy bands, the magnetic moments, the charge transfers, the spatial charge densities, the spin distribution configurations, and the van Hove singularities in the atom- and orbital-projected density of states are investigated thoroughly by the delicate evaluations and analyses. Such fundamental properties are sufficient in determining the critical physical and chemical pictures, in which the accurate multi-orbital hybridizations are very useful in comprehending the diverse phenomena, e.g., the C- and Si-co-dominated energy bands, the semiconducting or metallic behaviors, and the existence/absence of Dirac-cone band structures. This developing model could be generalized to other emergent layered materials.","PeriodicalId":118393,"journal":{"name":"Green Energy Materials Handbook","volume":"96 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115926250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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