Tailorable acceptor C60-nBn and donor C60-mNm pairs for molecular electronics

Our first-principles calculations demonstrate that C60-nBn and C60-mNm can be engineered as the acceptors and donors, respectively, needed for molecular electronics by properly controlling the dopant number n and m in C-60. We show that acceptor C48B12 and donor C48N12 are promising components for molecular rectifiers, carbon nanotube-based n-p-n (p-n-p) transistors, and p-n junctions.