Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review

In present search, we report theoretical analysis by using DFT (TD-DFT)-B3LYP with 6-31G (d, p) level on the geometries, optoelectronic and absorption characteristics of novel a series of the donor-π-acceptor dyes. Their π-conjugated bridge is based on the thiophene, benzene, pyridine, and pyrazine, the thieno [2,3-b] indole was used as an electron donor (D) and the acid 2-cyanoacrylic was used as an electron acceptor (A) group. The theoretical information of the electronic structures such as energy levels (HOMO and LUMO) and energy gap of the molecules is based on study the dyes in organic solar cells. Consequently the energy levels, energy gap, photovoltaic properties, quantum chemical and absorption parameters of all the dyes have been computed and reported. The calculations show that the dyes under study can theoretically be good photosensitizers in DSSCs. Also, the results show that the LUMO levels of all dyes design lie over the conduction band (Ecb) of the semiconductors TiO2 (or PC70BM) likewise the HOMO levels lie under the decrease potential vitality of the (electrolytes) comparing to ability of electron transfer from the molecular dye excited state to TiO2 (or PC70BM) and chargeerenewal after photo-oxidation process, separately.

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Divergent Synthesis and Tuning of the Electronic Structures of Cobalt–Dithiolene–Fullerene Complexes for Organic Solar Cells

Organometallics ◽

10.1021/om400796p ◽

2014 ◽

Vol 33 (3) ◽

pp. 659-664 ◽

Cited By ~ 2

Author(s):

Yutaka Matsuo ◽

Keisuke Ogumi ◽

Masashi Maruyama ◽

Takafumi Nakagawa

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Electronic Structures ◽

Fullerene Complexes

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(Invited) Role of the Metal-Organic Interfaces in the Dark Current-Voltage Characteristics of Organic Solar Cells

ECS Meeting Abstracts ◽

10.1149/ma2015-01/18/1259 ◽

2015 ◽

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Dark Current ◽

Organic Interfaces ◽

Current Voltage ◽

Metal Organic ◽

Current Voltage Characteristics

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Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells

Zeitschrift für Physikalische Chemie ◽

10.1515/zpch-2016-0790 ◽

2017 ◽

Vol 231 (6) ◽

Cited By ~ 6

Author(s):

Muhammad Adnan ◽

Javed Iqbal ◽

Shamsa BiBi ◽

Riaz Hussain ◽

Muhammad Nadeem Akhtar ◽

...

Keyword(s):

Solar Cells ◽

Electron Donor ◽

Organic Solar Cells ◽

Electronic Structures ◽

Photophysical Properties ◽

Optoelectronic Properties ◽

Fine Tuning ◽

Geometrical Parameters

AbstractGeometrical parameters, electronic structures and photophysical properties of three new triphenylamine (TPA) and diphenylamine (DPA) based electron donor materials

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Microscopic Analysis of Organic Solar Cells by Simultaneous Measurements of ESR and Device Performance

MRS Proceedings ◽

10.1557/opl.2014.24 ◽

2014 ◽

Vol 1639 ◽

Author(s):

Kazuhiro Marumoto ◽

Tatsuya Nagamori ◽

Masaki Yabusaki

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Polymer Solar Cells ◽

Microscopic Analysis ◽

Solar Irradiation ◽

Clear Correlation ◽

Device Performance ◽

Carrier Scattering ◽

Organic Interfaces ◽

Charge Carrier Scattering

ABSTRACTLight-induced electron spin resonance (LESR) study of polymer solar cells has been performed to investigate accumulated hole carriers in these devices under device operation. We analyzed clear correlation between the number of accumulated holes in regioregular poly(3-hexylthiophene) (P3HT) evaluated by LESR and the deterioration of device performance (Voc, Jsc) observed using the same device under simulated solar irradiation. The effects of hole accumulation with deep trapping levels formed in P3HT at the organic interfaces on the performance are examined by considering interfacial electric dipole layers and charge-carrier scattering by accumulated holes.

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