%0 Journal Article %1 WOS:000258147200057 %A Saraiva-Souza, Aldilene %A Sumpter, Bobby G %A Meunier, Vincent %A Filho, Antonio G Souza %A Nero, Jordan Del %C 1155 16TH ST, NW, WASHINGTON, DC 20036 USA %D 2008 %I AMER CHEMICAL SOC %J JOURNAL OF PHYSICAL CHEMISTRY C %K imported %N 31 %P 12008-12011 %R 10.1021/jp801667q %T Electrical rectification in betaine derivatives %V 112 %X We theoretically investigate the electric rectification in an organic two terminal push-pull molecular device using a combination of ab initio techniques. Our main finding is that the electric rectification is extremely sensitive to the length of the chain, undergoing a complete switching after a specific chain length. This unique process occurs for betaine-like donor-g bridge-acceptor systems and is directly associated with a conjugated bridge in the presence of an external electric field. The conjugated bridge between the donor and acceptor groups is composed of oligoethylene with sizes ranging from 0 to 10 C=C units. The appearance of electric rectification occurs when the bridge size is equal to 5 units and is complete for those larger than 6 units (i.e., full inversion). This new electronic effect is advantageous for the design of large hybrid organic/inorganic circuits with an increased majority carrier flow that is necessary for the emerging needs of nanotechnology.

@article{WOS:000258147200057, abstract = {We theoretically investigate the electric rectification in an organic two terminal push-pull molecular device using a combination of ab initio techniques. Our main finding is that the electric rectification is extremely sensitive to the length of the chain, undergoing a complete switching after a specific chain length. This unique process occurs for betaine-like donor-g bridge-acceptor systems and is directly associated with a conjugated bridge in the presence of an external electric field. The conjugated bridge between the donor and acceptor groups is composed of oligoethylene with sizes ranging from 0 to 10 C=C units. The appearance of electric rectification occurs when the bridge size is equal to 5 units and is complete for those larger than 6 units (i.e., full inversion). This new electronic effect is advantageous for the design of large hybrid organic/inorganic circuits with an increased majority carrier flow that is necessary for the emerging needs of nanotechnology.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, author = {Saraiva-Souza, Aldilene and Sumpter, Bobby G and Meunier, Vincent and Filho, Antonio G Souza and Nero, Jordan Del}, biburl = {https://www.bibsonomy.org/bibtex/2df53e9dc6d5104fea61bc45f2346bff7/ppgfis_ufc_br}, doi = {10.1021/jp801667q}, interhash = {cc4c8a437008f5c5de7030e43f307434}, intrahash = {df53e9dc6d5104fea61bc45f2346bff7}, issn = {1932-7447}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, keywords = {imported}, number = 31, pages = {12008-12011}, publisher = {AMER CHEMICAL SOC}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Electrical rectification in betaine derivatives}, tppubtype = {article}, volume = 112, year = 2008 }