Enhancing Lithium Adsorption and Diffusion toward Extraordinary Lithium Storage Capability of Freestanding Ti3C2Tx MXene
| Autor: | Xiaojun Xin, Haichao Huang, Weiqing Yang, Yanting Xie, Huan Liu, Chunsheng Guo, Ningjun Chen, Haitao Zhang, Weili Deng |
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| Rok vydání: | 2019 |
| Předmět: |
Materials science
Annealing (metallurgy) 02 engineering and technology Conductivity 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Isotropic etching 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials General Energy Adsorption Chemical engineering Surface modification Density functional theory Physical and Theoretical Chemistry 0210 nano-technology MXenes Adsorption energy |
| Zdroj: | The Journal of Physical Chemistry C. 123:2792-2800 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.8b11255 |
| Popis: | Chemical etching method shows potential for large-scale and low-cost processed MXenes but incorporates surface terminations such as F&OH that probably deteriorate the lithium storage characteristics. Herein, we propose that tailoring appropriate surface functionalization and the intrinsic electrical properties can dramatically enhance the lithium storage capability of Ti3C2Tx (T stands for F, OH, and O) MXene materials. By carefully controlling the annealing process, the Ti3C2Tx films possess fewer F&OH elements so that with higher conductivity, they are still freestanding and flexible. Density functional theory computations of the low-F&OH-containing Ti3C2Tx show low-ion-diffusion barrier values of 0.34–0.43 eV and a significant increase of Li adsorption energy by 6–30 times compared to those of high-F&OH-containing Ti3C2Tx, suggesting high Li-ion storage and transfer capabilities can be achieved in low-F&OH-containing Ti3C2Tx MXenes. Dramatically, the heteroatom-controlled Ti3C2Tx MXene films show reve... |
| Databáze: | OpenAIRE |
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