| Autor: |
Yan Xin, Yang-Xin Yu |
| Jazyk: |
angličtina |
| Rok vydání: |
2017 |
| Předmět: |
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| Zdroj: |
Data in Brief, Vol 15, Iss , Pp 623-637 (2017) |
| Druh dokumentu: |
article |
| ISSN: |
2352-3409 |
| DOI: |
10.1016/j.dib.2017.10.003 |
| Popis: |
The data reported in this article are structural and physicochemical properties for bare and F, O, OH and CH3O-functionalized Nbn+1Cn (n = 1, 2, 3 and 4) MXenes. The structural properties are presented as top views and side views from the X direction of the optimal structures of studied MXenes. The physicochemical properties include quantum capacitances, electrostatic potentials and electronic properties such as the projected density of states (PDOS) and band structures. Further interpretation and discussion of these data can be obtained from the article entitled âPossibility of bare and functionalized niobium carbide MXenes for electrode materials of supercapacitors and field emittersâ (Xin and Yu, 2017) [1]. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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