Advanced search    

Search: authors:"HuiXue Li"

1 papers found.
Use AND, OR, NOT, +word, -word, "long phrase", (parentheses) to fine-tune your search.

Theoretical study of the effects of different substituents of tetrathiafulvalene derivatives on charge transport

Density functional theory calculations were carried out to investigate the charge transfer of four tetrathiafulvalene derivatives. Perfluorination of dibenzo-tetrathiafulvalene (DB-TTF) increased the reorganization energy and was considered disadvantageous for the charge-transport process. Fluorination lowered the frontier orbitals of the compound, favoring electron—rather than...