Pinto H, Jones R, Goss J P, Briddon P R
School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, UK.
J Phys Condens Matter. 2009 Oct 7;21(40):402001. doi: 10.1088/0953-8984/21/40/402001. Epub 2009 Sep 14.
We use local density function theory to study the electronic properties of tetrafluoro-tetracyanoquinodimethane (F4-TCNQ) deposited on a graphene surface. We show that charge transfer of 0.3 holes/molecule between graphene and F4-TCNQ occurs, which makes graphene p-type doped. These results are in agreement with experimental findings on F4-TCNQ.
我们使用局域密度泛函理论来研究沉积在石墨烯表面的四氟四氰基对苯二醌二甲烷（F4-TCNQ）的电子性质。我们发现，石墨烯与F4-TCNQ之间发生了0.3个空穴/分子的电荷转移，这使得石墨烯成为p型掺杂。这些结果与关于F4-TCNQ的实验结果一致。
