Realizing n-type doping and high carrier mobility of silicene by decamethylcobaltocene molecular adsorption
| Autor: | Chunling Zhang, Suna Jia, Nan Gao, Qiliang Wang, Hongdong Li |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
010302 applied physics
Electron mobility Materials science Condensed matter physics Silicene Band gap Doping Metals and Alloys Fermi energy 02 engineering and technology Surfaces and Interfaces Electron 021001 nanoscience & nanotechnology 01 natural sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials chemistry.chemical_compound chemistry 0103 physical sciences Materials Chemistry Density functional theory Decamethylcobaltocene 0210 nano-technology |
| Zdroj: | Thin Solid Films. 728:138691 |
| ISSN: | 0040-6090 |
| DOI: | 10.1016/j.tsf.2021.138691 |
| Popis: | In this work, the structural and electronic properties of silicene with decamethylcobaltocene (DMC) molecular doping are investigated by density functional theory to improve its semiconductor properties. DMC molecule with strong electron-donating ability is physisorbed on silicene. An interfacial charge transfer between silicene and DMC molecule occurs, then the location of Fermi energy is modulated lower than the Dirac point of silicene with 0.273 eV ‒ 0.282 eV. Consequently, n-type doped silicene is realized. Meanwhile, a band gap of 0.024 eV ‒ 0.032 eV opens in silicene. Moreover, silicene maintains a high carrier concentration (3.426 × 1013 ‒ 3.518 × 1013 cm−2) and carrier mobility (13.839 × 104 cm2 V−1 s−1 for electrons and 5.428 × 104 cm2 V−1 s−1 for holes) with anisotropy. This work opens possible applications of silicene in photonic and electronic devices. |
| Databáze: | OpenAIRE |
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