Tailorable acceptor ${\rm C}_{60-n}{\rm B}_{n}$ and donor ${\rm C}_{60-m}{\rm N}_{m}$ pairs for molecular electronics

Details Tailorable acceptor ${\rm C}_{60-n}{\rm B}_{n}$ and donor ${\rm C}_{60-m}{\rm N}_{m}$ pairs for molecular electronics Tailorable acceptor ${\rm C}_{60-n}{\rm B}_{n}$ and donor ${\rm C}_{60-m}{\rm N}_{m}$ pairs for molecular electronics

2003-01-13

arxiv.org/abs/cond-mat/0301194v3

Phys. Rev. Lett. 90(20), 206602 (2003)

Physics

Condensed Matter

Materials Science

accepted by Phys.Rev.Lett

Scientific paper

10.1103/PhysRevLett.90.206602

Our first-principles calculations demonstrate that ${\rm C}_{60-n}{\rm B}_{n}$ and ${\rm C}_{60-m}{\rm N}_{m}$ molecules can be engineered as the acceptors and donors, respectively, which are needed for molecular electronics, by properly controlling the number $n$ and $m$ of the substitutional dopants in ${\rm C}_{60}$. As an example, we show that acceptor ${\rm C}_{48}{\rm B}_{12}$ and donor ${\rm C}_{48}{\rm N}_{12}$ are promising components for molecular rectifiers, carbon nanotube-based $p$-type, $n$-type, $n$-$p$-$n$ and $p$-$n$-$p$ transistors and $p$-$n$ junctions.

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