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 fixed, but it increases when the molecules are freely relaxed or Li2 has 1 eV of initial velocity.
Kodama
Yasunobu
Y
Department of Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya, Yokohama 240-8501, Japan. y-kodama@m2.pbc.ne.jp
Ohno
Kaoru
K