The roles of auxiliary electron donors and acceptors on triphenylamine dyes for dye-sensitized solar cells: A density functional study

Name: Siriluk Kanchanakungwankul

Organization : Department of Chemistry and Center of Excellent for Innovation in Chemistry

Name: Panida Surawatanawong

Organization : Mahidol University. Faculty of Science

Email : panida.sur@mahidol.ac.th

keyword: Triphenylamine dyes

LCSH: Density functional theory

; Cyanoacrylic acid

LCSH: Electron

LCSH: Solar cells

Abstract: The electronic structures and optical properties of organic dyes containing triphenylamine electron donor (D) and cyanoacrylic acid electron acceptor (A) were studied for the effect of the insertion of auxiliary electron donor (D’) and acceptor (A’) using timedependent density functional theory (TDDFT). Dye sensitizers, which have long absorption wavelength (λmax) and high oscillator strength (f) relating to high light harvesting efficiency (LHE), and a large negative value of free energy of injection (ΔGinject) were investigated. Based on C206 dye with D-Pi-A design (Pi = thienothiophene) (η = 7.54%), the insertion of diethylenedioxythiophene (EDOT) as D’ unit forms C217, one of the highly efficient dyes (η = 9.80%) with D-D’-Pi-A architecture. The calculated ΔGinject of C217 and C206 is comparable whereas the calculated absorption wavelength (λmax) and oscillator strength (f) of C217 is larger than that of C206 in corresponding with the experiment. We proposed the D-D’-A’-A dye forming by the insertion of benzothiadiazole (BTD) as A’ unit to compared with D-D’-Pi-A and D-D’-D’-A dyes. The D-D’-Pi-A has the highest f while the D-D’-A’-A has the lowest f and the lowest ΔGinject. Therefore inserting π instead of D’ or A’ should provide a higher f and LHE.

King Mongkut's University of Technology North Bangkok. Central Library

Address: BANGKOK

Email: library@kmutnb.ac.th

Created: 2017

Modified: 2019-08-23

Issued: 2019-08-23

บทความ/Article

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BibliograpyCitation : In Chemical Society of Thailand under the Patronage of Her Royal Hghness Princess Chulabhorn Mahidol and King Mongkut's University of Technology North Bangkok Faculty of Applied Science. Pure and Applied Chemistry International Conference (PACCON 2017) (pp.1370-1375). Bangkok : Chemical Society of Thailand under the Patronage of Her Royal Hghness Princess Chulabhorn Mahidol

eng

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