Determination of HOMO and LUMO of [6,6]-phenyl C61-butyric acid 3-ethylthiophene ester and poly (3-octyl-thiophene-2, 5-diyl) through voltametry characterization

Ashkan Shafiee, Muhamad Mat Salleh, Muhammad Yahaya

Research output: Contribution to journalArticle

59 Citations (Scopus)

Abstract

HOMO and LUMO of organic compounds are basic parameters for the design and fabrication of an organic solar cell. This paper presents a technique to obtain HOMO and LUMO of an n-type polymer of [6,6]-phenyl C61-butyric acid 3-ethylthiophene ester (PCBE) and a p-type polymer of poly (3-octyl-thiophene-2, 5-diyl) (P3OT). The energy of band gap for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. The experiments were carried out in a three-electrode cell consisting of a platinum working electrode, a platinum counter electrode and a SCE reference electrode. P 3 OT showed energy band gap equal to 1.83 eV with HOMO and LUMO equal to 5.59 eV and 3.76 eV, respectively. PCBE showed energy band gap equal to 1.96 eV with HOMO and LUMO equal to 5.87 eV and 3.91 eV, respectively. Based on energy band diagram that was constructed from this experimental result, the couple materials may be successfully used to fabricate the feasible organic solar cells.

Original languageEnglish
Pages (from-to)173-176
Number of pages4
JournalSains Malaysiana
Volume40
Issue number2
Publication statusPublished - Feb 2011

Fingerprint

Butyric Acid
Band structure
Esters
Electrodes
Energy gap
Platinum
Polymers
Organic compounds
Light absorption
Cyclic voltammetry
Absorption spectra
Fabrication
Oxidation
2-n-octylthiophene
Experiments
Organic solar cells

Keywords

  • Cyclic voltametry
  • Donor-acceptor materials
  • Organic solar cells

ASJC Scopus subject areas

  • General

Cite this

Determination of HOMO and LUMO of [6,6]-phenyl C61-butyric acid 3-ethylthiophene ester and poly (3-octyl-thiophene-2, 5-diyl) through voltametry characterization. / Shafiee, Ashkan; Mat Salleh, Muhamad; Yahaya, Muhammad.

In: Sains Malaysiana, Vol. 40, No. 2, 02.2011, p. 173-176.

Research output: Contribution to journalArticle

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AB - HOMO and LUMO of organic compounds are basic parameters for the design and fabrication of an organic solar cell. This paper presents a technique to obtain HOMO and LUMO of an n-type polymer of [6,6]-phenyl C61-butyric acid 3-ethylthiophene ester (PCBE) and a p-type polymer of poly (3-octyl-thiophene-2, 5-diyl) (P3OT). The energy of band gap for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. The experiments were carried out in a three-electrode cell consisting of a platinum working electrode, a platinum counter electrode and a SCE reference electrode. P 3 OT showed energy band gap equal to 1.83 eV with HOMO and LUMO equal to 5.59 eV and 3.76 eV, respectively. PCBE showed energy band gap equal to 1.96 eV with HOMO and LUMO equal to 5.87 eV and 3.91 eV, respectively. Based on energy band diagram that was constructed from this experimental result, the couple materials may be successfully used to fabricate the feasible organic solar cells.

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