Charge Injection Rates in Hybrid Nanosilicon-Polythiophene Bulk Heterojunction Solar Cells


The injection time for transfer of an electron from photoexcited dodecathiophene or polythiophene to a silicon nanocrystal (2.2 nm diameter) is calculated by computing the retarded Green's function for the system from the Hamiltonian and Kohn-Sham states produced by density functional calculations. We found that it can be of the order of 10-100 fs if the thiophene chain lies approximately parallel to the silicon surface. However, the electron injection time is 1-2 orders of magnitude longer if the oligothiophene chain lies perpendicular to the silicon surface. A chemisorption interaction between the thiophene chain and the nanocrystal provides a relatively small improvement (decrease) of injection times, much weaker than that achieved by enforcing the parallel arrangement of the chain with respect to the nanocrystal.




Chemistry; Science & Technology - Other Topics; Materials Science


Carvalho, A; Martsinovich, N; Vieira, R; Troisi, A

nossos autores


This work was supported by the Marie Curie Program PEOPLE (SiNanoTune-REG/REA.P1(2010)D/22847), FCT (PEst-C/CTM/LA0025/2011), and COST NanoTP (MP0901). R.V. is supported by the Hybrid Solar project. A.C. thanks the University of Aveiro and I3N for computational resources, Dr. Manuel Barroso for technical support, and J. Coutinho for helpful discussions. N.M. and A.T. are grateful to ERC and EPSRC for supporting their research.

Partilhe este projeto

Publicações similares

Usamos cookies para atividades de marketing e para lhe oferecer uma melhor experiência de navegação. Ao clicar em “Aceitar Cookies” você concorda com nossa política de cookies. Leia sobre como usamos cookies clicando em "Política de Privacidade e Cookies".