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Tuning the optoelectronic properties for small organic compounds as organic solar cell applications

Optoelectronics Letters 2024年第7期20卷 412-417页

作者： Hussein K.Mejbel lafy f.al-badry Department of Physics College of Education for Pure ScienceUniversity of Thi-QarNassiriya 64001Iraq Department of Physics College of ScienceUniversity of Thi-QarNassiriya 64001Iraq1

Recently,organic solar cells have attracted the attention of many researchers owing to flexibility,low cost,light weight and large-area applications,and significant improvement in the power conversion efficiency(PCE).In this work,we designed chains from organic compounds as donors and replaced the core unit in each series with a variety of acceptors in order to enhance their optical and electronic characterization and performance for power conversion efficiencies in organic solar *** utilized density functional theory(DfT)and time-dependent density functional theory(TD-DfT)to investigate the geometry optimization by using the Gaussian 09 *** electronic and optical properties were determined,which involve the lowest unoccupied molecular orbital(LUMO)and the highest occupied molecular orbital(HOMO)levels,the band gap energy,maximum absorption wavelength(λ_(max)),open circuit voltage(V_(oc)),and light harvesting efficiency(LHE).Our evaluation denotes that the small compounds suggested are predicted to exhibit the best performance compared to the first series(SC1),like a lower band gap energy,a lower HOMO energy level,a greater absorption range,and a larger PCE.

关键词： orbital occupied compounds

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Constructing a small organic molecule by using the derivative of oxadiazole for photovoltaic applications

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Optoelectronics Letters 2024年第12期20卷 728-735页

作者： Hussein K.MEJBEL Abdulrsool H.al-TAHER fayez A.NAMAH lafy f.al-badry Department of Physics College of Education for Pure ScienceUniversity of Thi-QarNassiriya 64001Iraq Directorate-General for Education Dhi Qar Nassiriya 64001Iraq Department of Physics College of ScienceUniversity of Thi-QarNassiriya 64001Iraq

Because of their elasticity,light weight,little cost,and wide-area applications,besides a notable increase in power conversion efficiency(PCE),organic solar cells(OSCs)have recently caught the concern of numerous *** the current project,we created a variety of organic small compounds as donor materials by using Gaussian *** design approach entails swapping the core part,which is benzothiadiazole(BT),based on a derivative of oxadiazole,as the terminals on both sides of the prototype compound(RM)with a variety of fragments to improve the electronic and optic characterization and performance for PCE in *** theoretical consideration under density-functional theory(DfT)and time-dependent density functional theory(TD-DfT)at the B3LYP/6-31G(d,p)basis set was made to find the maximum absorption wavelength λ_(max),the efficiency of light harvesting(LHE),excitation energy(E_(x)),highest occupied molecular orbital(HOMO)and lowest occupied molecular orbital(LOMO)levels,energy band gap(E_(g)),dipole moment(ρ),the density of state(DOS),ionization potential(IP),electron affinity(EA),fill factor(ff),and open circuit voltage(V_(oc))of molecules RM and TS studied in a methodical *** values revealed that proposed compounds T1T4 can be encouraging materials for manufacturing OSCs as a donor tiny compound with acceptor PC6BM to predict a rise in PCE owing to their possession of proper values for some optical and electronic features,like the lowest HOMO level,narrower band gaps,and a greater absorption wavelength compared with the reference model RM.

关键词： derivative donor orbital

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High Thermoelectric figure of Merit of Ag8SnS6 Component Prepared by Electrodeposition Technique

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Chinese Physics Letters 2015年第12期32卷 126-130页

作者： TAHER Ghrib AMal lafy al-Otaibi MUNIRAH Abdullah almessiere IBTISSEM Ben Assaker RADHOUANE Chtourou Laboratory of Physical alloys Science Faculty of Dammam University of Dammam Saudi Arabia Laboratoire Photovoltaique Centre de Recherches et des Technologies de l'Energie Technopole bozj cedria Bp 95 hammam lif 2050 Tunisie

A new thermoelectric material Ag8SnS6, with ultra-low thermal conductivity in thin film shape, is prepared on indium tin oxide coated g/ass （ITO） substrates using a chemical process via the electrodeposition technique. The structural, thermal and electrical properties are studied and presented in detail, which demonstrate that the material is of semiconductor type, orthorhombic structure, with a band gap in the order of 1.56eV and a free carrier concentration of 1.46 × 10^17 cm-3. The thermal conductivity, thermal diffusivity, thermal conduction mode, Seebeck coefficient and electrical conductivity are determined using the photo-thermal deflection technique combined with the Boltzmann transport theory and Cahill＇s model, showing that the AgsSnS6 material has a low thermal conductivity of 3.8 Wm - 1K- 1, high electrical conductivity of 2.4 × 10^5 Sm- 1, Seebeck coefficient of -180μVK-1 and a power factor of 6.9mWK-2m-1, implying that it is more efficient than those obtained in recently experimental investigations for thermoelectric devices.

关键词： figure High Thermoelectric figure of Merit of Ag8SnS6 Component Prepared by Electrodeposition Technique Ag SnS

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