Exploration of donor effect on electron injection and photovoltaic properties of chalcone derivatives

Irfan, A.

doi:10.1515/msp-2018-0030

Artykuł - szczegóły

Tytuł artykułu

Exploration of donor effect on electron injection and photovoltaic properties of chalcone derivatives

Autorzy

Irfan A.

Wybrane pełne teksty z tego czasopisma

Identyfikatory

DOI

10.1515/msp-2018-0030

Warianty tytułu

Języki publikacji

Abstrakty

Various photovoltaic parameters, i.e., electron injection (ΔG^inject.), electronic coupling constants (|V_RP|), light harvesting efficiencies (LHE), band alignment and electronic properties of five chalcone derivatives were studied by density functional theory (DFT) and time domain. The light was also shed on the effect of different electron donating groups and their strength intensity on the electronic and charge transfer properties. The balanced hole and electron reorganization energies for Comp 4 showed that it might have better ambipolar charge transfer in nature. The strong electron donating group(s) usually enhance(s) the ΔG^inject. and |V_RP| of chalcones as -N(CH₃)₂ > OCH₃ > OH. Additionally, ΔG^inject. and |V_RP| of various substituted chalcone derivatives have been observed as trimethoxy > dimethoxy > monomethoxy. The greater electron donating ability of substituents is also favorable for the staggered band alignment. The superior ΔG^inject. of all the studied chalcones than of the referenced compounds disclosed that the prior compounds would be proficient photovoltaic materials.

Słowa kluczowe

renewable energy photovoltaic properties density functional theory DFT band alignment charge transfer properties electron injection

Wydawca

De Gruyter

Czasopismo

Materials Science Poland

Rocznik

2018

Tom

Vol. 36, No. 2

Strony

276--282

Opis fizyczny

Bibliogr. 47 poz., rys., tab.

Twórcy

autor

Irfan A.

irfaahmad@gmail.com

Research Center for Advanced Materials Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia
Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia

Bibliografia

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Uwagi

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2018).

Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-827c8c89-0ffc-400e-be69-fcdf3b996713