Publication: Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysis
| dc.contributor.author | P. Pannopard | en_US |
| dc.contributor.author | P. Khongpracha | en_US |
| dc.contributor.author | M. Probst | en_US |
| dc.contributor.author | J. Limtrakul | en_US |
| dc.contributor.other | Mahidol University | en_US |
| dc.contributor.other | Kasetsart University | en_US |
| dc.contributor.other | University of Innsbruck | en_US |
| dc.date.accessioned | 2018-09-13T06:31:00Z | |
| dc.date.available | 2018-09-13T06:31:00Z | |
| dc.date.issued | 2009-08-01 | en_US |
| dc.description.abstract | The limitations of intrinsic carbon nanotube (CNT) based devices to examine toxic gases motivate us to investigate novel sensors which can possibly overcome sensitivity problems. Pt-CNT assemblies (with Pt deposited externally as well as internally Pt-doped ones) interacting with NO2and NH3are studied and compared with unmodified CNTs. DFT calculations show that Pt can enhance adsorption and charge transfer processes to a very large degree. Incoming gas molecules cause changes in the electronic structure and charge distribution of the Pt-substituted CNTs that are both larger and more far-reaching than in their unmodified counterparts. Their relatively high stability is unaffected by the complexation with NO2and NH3. CNTs with defective surface were also investigated. The sensing performance of Pt-doped CNT is found to be superior to defected CNTs. © 2009 Elsevier Inc. All rights reserved. | en_US |
| dc.identifier.citation | Journal of Molecular Graphics and Modelling. Vol.28, No.1 (2009), 62-69 | en_US |
| dc.identifier.doi | 10.1016/j.jmgm.2009.04.005 | en_US |
| dc.identifier.issn | 10933263 | en_US |
| dc.identifier.other | 2-s2.0-69249229727 | en_US |
| dc.identifier.uri | https://repository.li.mahidol.ac.th/handle/20.500.14594/27408 | |
| dc.rights | Mahidol University | en_US |
| dc.rights.holder | SCOPUS | en_US |
| dc.source.uri | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=69249229727&origin=inward | en_US |
| dc.subject | Chemistry | en_US |
| dc.subject | Computer Science | en_US |
| dc.subject | Materials Science | en_US |
| dc.title | Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysis | en_US |
| dc.type | Article | en_US |
| dspace.entity.type | Publication | |
| mu.datasource.scopus | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=69249229727&origin=inward | en_US |