Photoexcitation of a neutral soliton will create a polaron and a charged soliton. According to a tight-binding model and a nonadiabatic method, we investigate the dynamical process of these two photogenerated charge c...Photoexcitation of a neutral soliton will create a polaron and a charged soliton. According to a tight-binding model and a nonadiabatic method, we investigate the dynamical process of these two photogenerated charge carriers in an external electric field. It is found that the polaron and the soliton can pass through each other, which excludes the possibility of carrier recombination that usually occurs in existing organic solar cells. The results indicate a more efficient way to realize the optoelectric conversion by photoexciting polymer materials with soliton defects. On the other hand, it is found that solitons take on greater stability than polarons during collision.展开更多
Using a nonadiabatic evolution method, we investigate the spin filter effect in organic polymers in the presence of a local magnetic field. Through a spin-dependent magnetic field, polarons （charge carrier） with dif...Using a nonadiabatic evolution method, we investigate the spin filter effect in organic polymers in the presence of a local magnetic field. Through a spin-dependent magnetic field, polarons （charge carrier） with different spins will feel repulsive or attractive force determined by their spins. Our simulations show that in a single-site magnetic field （affecting electrons at a single site）, for example V150 = 0.35 eV, or V150 = 0.45 eV, a spin-up polaron accelerated to saturated velocity by an electric field can pass through the field while the spin-down polaron is trapped. When the local field extends over several sites （Vn～ exp[-（n - nc）2/nw^2]）, similar behaviour is also found. Simultaneously we find that it is more likely to realize the spin filter effect in a comparatively large field since the polaron which feels attractive force is easily trapped by a local magnetic field.展开更多
基金supported by the Special Funds of the National Natural Foundation of China (Grant No. 11047148)the Jining University Research Program,China (Grant No. 2010QNKJ04)
文摘Photoexcitation of a neutral soliton will create a polaron and a charged soliton. According to a tight-binding model and a nonadiabatic method, we investigate the dynamical process of these two photogenerated charge carriers in an external electric field. It is found that the polaron and the soliton can pass through each other, which excludes the possibility of carrier recombination that usually occurs in existing organic solar cells. The results indicate a more efficient way to realize the optoelectric conversion by photoexciting polymer materials with soliton defects. On the other hand, it is found that solitons take on greater stability than polarons during collision.
基金Supported by the National Natural Science Foundation of China under Grant Nos 90403110, 10374017, and 10321003.
文摘Using a nonadiabatic evolution method, we investigate the spin filter effect in organic polymers in the presence of a local magnetic field. Through a spin-dependent magnetic field, polarons （charge carrier） with different spins will feel repulsive or attractive force determined by their spins. Our simulations show that in a single-site magnetic field （affecting electrons at a single site）, for example V150 = 0.35 eV, or V150 = 0.45 eV, a spin-up polaron accelerated to saturated velocity by an electric field can pass through the field while the spin-down polaron is trapped. When the local field extends over several sites （Vn～ exp[-（n - nc）2/nw^2]）, similar behaviour is also found. Simultaneously we find that it is more likely to realize the spin filter effect in a comparatively large field since the polaron which feels attractive force is easily trapped by a local magnetic field.
