科研之友
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摘要
Density functional theory is used to investigate the possibility of doping fluorographene by surface adsorbates. The structure and electronic properties of fluorographene with adsorbed K, Li, Au atoms, and F4-TCNQ molecule are described. It is shown that adsorption of K or Li atoms results in electron doping of fluorographene, while Au atoms and F4-TCNQ introduce deep levels inside the band gap. The calculated value of the fluorographene work function is extremely high, 7.3 eV, suggesting that p-type doping is difficult to achieve.
- 出版日期2011-9-22
