Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system.

Carrying out a semiclassical molecular dynamics simulation of a CH4-Li2 system by using the time-dependent local density approximation of the time-dependent density functional theory, we find that one-by-one electron and hole transfer takes place from CH4 to Li2 when an electron is excited in CH4. Probability of the transfer is low when the molecules are… CONTINUE READING