Loading...
Please wait, while we are loading the content...
Effect of the Length of Alkyl Side Chains in the Electronic Structure of Conjugated Polymers
| Content Provider | Semantic Scholar |
|---|---|
| Author | Oliveiraa, Eliezer Fernando Lavardaa, Francisco Carlos |
| Copyright Year | 2014 |
| Abstract | Computational modeling studies of conjugated polymers have been shown to present many challenges. Dne such challenge is to find ways to reduce the computational cost for these studies without compromising the quality of the results. An approach longly used in the literature for this purpose is replacing long alkyl side chains (with six or more carbons) with a methyl group. This work reports on a theoretical study conducted with the conjugated polymer poly(3-hexylthiophene), which contains a hexyl side chain attached to the monomer, to verify the influence of the size of the alkyl side chain on its electronic structure. The results indicated that, for polymers containing long alkyl side chains, replacement with a propyl group offered full saturation of all properties under review, showing it to be a good approach. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www.scielo.br/pdf/mr/2014nahead/aop278814.pdf |
| Alternate Webpage(s) | http://www.scielo.br/pdf/mr/v17n6/aop278814.pdf |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Algorithmic efficiency Carbon Computation Computational model Electronic structure Immunostimulating conjugate (antigen) Methyl Group Polymer Polymers alkyl |
| Content Type | Text |
| Resource Type | Article |
