%0 Journal Article %1 WOS:000318211200063 %A Audiffred, Martha %A Elias, Ana Laura %A Gutierrez, Humberto R %A Lopez-Urias, Florentino %A Terrones, Humberto %A Merino, Gabriel %A Terrones, Mauricio %C 1155 16TH ST, NW, WASHINGTON, DC 20036 USA %D 2013 %I AMER CHEMICAL SOC %J JOURNAL OF PHYSICAL CHEMISTRY C %K imported %N 16 %P 8481-8490 %R 10.1021/jp312427z %T Nitrogen-Silicon Heterodoping of Carbon Nanotubes %V 117 %X Si/O/N-doped single-walled carbon nanotubes (SWNTs) are synthesized using aerosol-assisted chemical vapor deposition (AACVD). The samples are characterized by Raman spectroscopy, high-resolution transmission electron microscopy (HRTEM), electron energy loss spectroscopy (EELS), energy-dispersive X-ray spectroscopy (EDS), Auger electron spectroscopy (AES), and X-ray photoelectron spectroscopy (XPS). HRTEM and Raman spectroscopy studies indicate that doping plays a crucial role in the generation of stable small diameter SWNTs. In order to elucidate the role of the heterodoping (Si/N, O/N, and Si/O) on the electronic properties and stability of SWNTs, density functional theory (DFT) computations on semiconductor (10,0), semimetallic (9,0), and metallic (5,5) SWNTs are performed. It is found that in the heterodoped SWNTs substitutional nitrogen makes the inclusion of Si and O atoms more energetically favorable within the carbon lattice. Heterodoping with Si/O/N may have an important impact in the chemistry of SWNTs as they could be used for anchoring polymer chains, clusters, molecules, etc., thus leading to advanced composites and sensors.

@article{WOS:000318211200063, abstract = {Si/O/N-doped single-walled carbon nanotubes (SWNTs) are synthesized using aerosol-assisted chemical vapor deposition (AACVD). The samples are characterized by Raman spectroscopy, high-resolution transmission electron microscopy (HRTEM), electron energy loss spectroscopy (EELS), energy-dispersive X-ray spectroscopy (EDS), Auger electron spectroscopy (AES), and X-ray photoelectron spectroscopy (XPS). HRTEM and Raman spectroscopy studies indicate that doping plays a crucial role in the generation of stable small diameter SWNTs. In order to elucidate the role of the heterodoping (Si/N, O/N, and Si/O) on the electronic properties and stability of SWNTs, density functional theory (DFT) computations on semiconductor (10,0), semimetallic (9,0), and metallic (5,5) SWNTs are performed. It is found that in the heterodoped SWNTs substitutional nitrogen makes the inclusion of Si and O atoms more energetically favorable within the carbon lattice. Heterodoping with Si/O/N may have an important impact in the chemistry of SWNTs as they could be used for anchoring polymer chains, clusters, molecules, etc., thus leading to advanced composites and sensors.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, author = {Audiffred, Martha and Elias, Ana Laura and Gutierrez, Humberto R and Lopez-Urias, Florentino and Terrones, Humberto and Merino, Gabriel and Terrones, Mauricio}, biburl = {https://www.bibsonomy.org/bibtex/21ba729c8327e15583d34642687c49078/ppgfis_ufc_br}, doi = {10.1021/jp312427z}, interhash = {6121cbe04ccd99a67d5c79f9cfd750bc}, intrahash = {1ba729c8327e15583d34642687c49078}, issn = {1932-7447}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, keywords = {imported}, number = 16, pages = {8481-8490}, publisher = {AMER CHEMICAL SOC}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Nitrogen-Silicon Heterodoping of Carbon Nanotubes}, tppubtype = {article}, volume = 117, year = 2013 }