Title of article :
Electrical rectification through cumulenic bridge: a computational study
Author/Authors :
Sitha، نويسنده , , Sanyasi and Bhanuprakash، نويسنده , , K. and Choudary، نويسنده , , B.M.، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 2005
Abstract :
Frontier molecular orbital analysis for the electrical rectification behavior of some donor–acceptor cumulenes has been carried out at B3LYP/6–31G** level of theory and the potential drop (PD) which is a measure of rectification behavior of the molecular
Keywords :
Rectifier , Cumulenes , molecular electronics , HOMO–LUMO gap (HLG) , Potential drop (PD) , conductor
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals
