| dc.contributor.advisor | Morton-Blake, Tony | |
| dc.contributor.author | Xie, Hongwei | |
| dc.date.accessioned | 2019-07-30T15:16:47Z | |
| dc.date.available | 2019-07-30T15:16:47Z | |
| dc.date.issued | 2001 | |
| dc.identifier.citation | Hongwei Xie, 'Molecular simulations of poly(3-alkylthiophene)s : thermochromism and transport behaviour of dopants', [thesis], Trinity College (Dublin, Ireland). School of Chemistry, 2001, pp 239 | |
| dc.identifier.other | THESIS 6326 | |
| dc.identifier.uri | http://hdl.handle.net/2262/89128 | |
| dc.description.abstract | The solubility, processability, environmental stability and thermochromism of poly(3-alkylthiophenes) (P3ATs) in comparison with other π-conjugated conducting
polymers make these materials attractive choices for both theoretical and experimental investigations of polymers with electrical and optical activity. In the work reported here the thermochromic phenomena and dopant transport behavior in these materials are studied on an atomic level by using molecular mechanics (MM) and molecular dynamics (MD) simulations. | |
| dc.format | 1 volume | |
| dc.language.iso | en | |
| dc.publisher | Trinity College (Dublin, Ireland). School of Chemistry | |
| dc.relation.isversionof | http://stella.catalogue.tcd.ie/iii/encore/record/C__Rb12466017 | |
| dc.subject | Chemistry, Ph.D. | |
| dc.subject | Ph.D. Trinity College Dublin | |
| dc.title | Molecular simulations of poly(3-alkylthiophene)s : thermochromism and transport behaviour of dopants | |
| dc.type | thesis | |
| dc.type.supercollection | thesis_dissertations | |
| dc.type.supercollection | refereed_publications | |
| dc.type.qualificationlevel | Doctoral | |
| dc.type.qualificationname | Doctor of Philosophy (Ph.D.) | |
| dc.rights.ecaccessrights | openAccess | |
| dc.format.extentpagination | pp 239 | |
| dc.description.note | TARA (Trinity's Access to Research Archive) has a robust takedown policy. Please contact us if you have any concerns: rssadmin@tcd.ie | |
