Hexagonal Boron Nitride/Blue Phosphorene Heterostructure as a Promising Anode Material for Li/Na-Ion Batteries
| Autor: | Yuhang Jin, Jianhua Hou, Yiheng Zhu, Hong Yin, Haochi Wang, Linsheng Zhu, Shufeng Han, Jian Tian, Jinna Bao, Guoqiang Zhao, Xin Guo |
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| Rok vydání: | 2018 |
| Předmět: |
Materials science
Diffusion Analytical chemistry Hexagonal boron nitride Heterojunction 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Anode Phosphorene chemistry.chemical_compound General Energy Adsorption chemistry Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 122:23329-23335 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.8b07062 |
| Popis: | Blue phosphorene (blue-P), an allotrope of black phosphorene, is prone to oxidize under ambient conditions, which significantly hinders its incorporation in anode for Li/Na ion batteries (LIBs/NIBs). Combining blue-P and hexagonal boron nitride (h-BN) together to construct h-BN/blue-P heterostructure (BN/P) can break the limitation of the restricted properties of blue-P. By means of first-principles computations, we explored the potential of using BN/P as anode material for LIBs/NIBs. Our computations show that the adsorption energies of Li/Na in BN/P are stronger than those in blue-P. Interestingly, although Li has similar chemical properties to Na, their the most energetically favorable sites on BN/P are different. Li prefers to insert into the interlayer of BN/P while Na prefers to absorb on the blue-P surface of BN/P. Furthermore, BN/P can achieve high theoretical specific capacities 801 and 541 mAh/g and low diffusion barriers 0.08 and 0.07 eV for LIBs and NIBs, respectively. All these characteristic... |
| Databáze: | OpenAIRE |
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