Publication:
Computational study of transmission function in p-phenylene sulfide and benzothiophene oligomers

Issued Date

2002-12-05

Resource Type

Article

ISSN

03667022

DOI

10.1246/cl.2002.1184

Other identifier(s)

2-s2.0-0037028345

Rights

Mahidol University

Rights Holder(s)

SCOPUS

Bibliographic Citation

Chemistry Letters. No.12 (2002), 1184-1185

Suggested Citation

Yuthana Tantirungrotechai, Atchara Wijitkosoom, Somsak Tonmunphean Computational study of transmission function in p-phenylene sulfide and benzothiophene oligomers. Chemistry Letters. No.12 (2002), 1184-1185. doi:10.1246/cl.2002.1184 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/20118

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Title

Computational study of transmission function in p-phenylene sulfide and benzothiophene oligomers

Author(s)

Yuthana Tantirungrotechai
 Atchara Wijitkosoom
 Somsak Tonmunphean

Other Contributor(s)

Mahidol University
 Chulalongkorn University

Abstract

The transmission function T(E), which describes the conduction in molecule, and the density of state (DOS) of the helical p-phenylene sulfide oligomer and of the fused-planar benzothiophene oligomer were calculated by using the non-equilibrium Green's function formalism. Although both the oligomers consist of benzene-(1,4)-dithiolate subunit, they have different T(E) and DOS near the Fermi level. The effect of replacing a sulfur atom inside the oligomer by an oxygen atom was additionally investigated.

Keyword(s)

Chemistry

Availability

URI

https://repository.li.mahidol.ac.th/handle/20.500.14594/20118

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