A strategy of designing near-infrared porphyrin-based non-fullerene acceptors for panchromatic organic solar cells

Wang, Wei Chih; Lin, You Wei; Peng, Shih Hao; Chuang, Chih Ting; Chang, Chia-Chih; Hsu, Chain‐Shu

doi:10.1016/j.orgel.2020.105899

Cited by 13 publications

(15 citation statements)

References 43 publications

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“…The solvent effect was computed using the conductor-like polarizable continuum model (CPCM). [27] The good harmony of DFT computed absorption maxima with experimental λ max of PORTFIC [17] is detected with CAMÀ B3LYP/6-31G(d,p)/LANL2DZ combination. Consequently, it was selected for estimating the optoelectronic features of reference (POR) and the developed (POR1-POR5) molecules.…”

Section: Computational Proceduresmentioning

confidence: 75%

“…The experimentally reported λ max value of reference POR molecule is 810 nm. [17] In combination with all levels of theory,…”

Section: Resultsmentioning

confidence: 99%

“…The range of functionals include the global hybrid GGA method B3LYP, range-separated corrected methods ωB97XD, CAM-B3LYP, LC-BLYP, meta-hybrid GGA method M062X and hybrid functional MPW1PW91. Therefore, reference molecule PORTFIC's [17] (POR) optimization was firstly done using B3LYP, [21] ωB97XD, [22] MPW1PW91, [23] LC-BLYP, [24] CAM-B3LYP, [25] and M06-2X [26] functionals. For H, C, N, S, O and F, 6-31G(d,p) basis set was adopted.…”

Section: Computational Proceduresmentioning

confidence: 99%

“…The ethynyl linker was correctly anticipated to improve the molecular planarity effectively extending the absorption spectra to harvest sunlight to NIR region. Therefore, two panchromatic porphyrin derivatives PORTIC and fluorinated PORTFIC were synthesized, [17] with porphyrin as a central core, thiophene and ethynyl linkage as a bridge and IC, FIC end-capped acceptor units respectively. The effect on various electron-pulling units (H, F) on their analogous optoelectronic properties were investigated by Wang et al [17] The changing of H in PORTIC with F in PORTFIC significantly affected the photovoltaic properties.…”

Section: Introductionmentioning

confidence: 99%

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Evaluating Zn‐Porphyrin‐Based Near‐IR‐Sensitive Non‐Fullerene Acceptors for Efficient Panchromatic Organic Solar Cells

et al. 2022

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Porphyrin‐based non‐fullerene acceptors (NFAs) have shown pronounced potential for assembling low‐bandgap materials with near‐infrared (NIR) characteristics. Herein, panchromatic‐type porphyrin‐based molecules (POR1–POR5) are proposed by modulating end‐capped acceptors of a highly efficient porphyrin‐based NFA PORTFIC(POR) for organic solar cells (OSCs). Quantum chemical structure‐property relationship has been studied to discover photovoltaic and optoelectronic characteristics of POR1–POR5. Results show that optoelectronic properties of the POR1–POR5 are better in all aspects when compared with the reference POR. All proposed NFAs particularly POR5 proved to be the preferable porphyrin‐based NIR sensitive NFA for OSCs applications owing to lower energy gap (1.56 eV ), transition energy (1.11 eV ), binding energy ( E b =0.986 eV ), electron mobility (λ e =0.007013 E h ), hole mobility ( λ h =0.004686 E h ), high λ max =1116.27 nm and open‐circuit voltage ( V oc =1.96 V ) values in contrast to the reference POR and other proposed NFAs. This quantum chemical insight provides sufficient evidence about excellent potential of the proposed porphyrin‐based NIR sensitive NFA derivatives for their use in OSCs.

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Section: Computational Proceduresmentioning

confidence: 75%

“…The experimentally reported λ max value of reference POR molecule is 810 nm. [17] In combination with all levels of theory,…”

Section: Resultsmentioning

confidence: 99%

Section: Computational Proceduresmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Evaluating Zn‐Porphyrin‐Based Near‐IR‐Sensitive Non‐Fullerene Acceptors for Efficient Panchromatic Organic Solar Cells

et al. 2022

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“… 43 Recently, Wang et al synthesized a series of porphyrin-based electron acceptor molecules and combined them with PTB7-Th as the electron donor for the BHJ active layer and achieved a maximum PCE of 4.28%. 44 Hadmojo et al synthesized an electron acceptor molecule based on a Zn-porphyrin linked to four naphthalenediimide units using an ethyne bridge. When paired with a medium-bandgap polymer donor (PTB7-Th), the OSCs showed a PCE of 8.15% and an energy loss of 0.61 eV.…”

Section: Introductionmentioning

confidence: 99%

Gold(III) Porphyrin Was Used as an Electron Acceptor for Efficient Organic Solar Cells

Cuesta

Singh

Gutiérrez‐Fernández

et al. 2022

ACS Appl. Mater. Interfaces

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The widespread use of nonfullerene-based electron-accepting materials has triggered a rapid increase in the performance of organic photovoltaic devices. However, the number of efficient acceptor compounds available is rather limited, which hinders the discovery of new, high-performing donor:acceptor combinations. Here, we present a new, efficient electron-accepting compound based on a hitherto unexplored family of well-known molecules: gold porphyrins. The electronic properties of our electron-accepting gold porphyrin, named VC10 , were studied by UV–Vis spectroscopy and by cyclic voltammetry (CV) , revealing two intense optical absorption bands at 500–600 and 700–920 nm and an optical bandgap of 1.39 eV. Blending VC10 with PTB7-Th, a donor polymer, which gives rise to an absorption band at 550–780 nm complementary to that of VC10 , enables the fabrication of organic solar cells (OSCs) featuring a power conversion efficiency of 9.24% and an energy loss of 0.52 eV. Hence, this work establishes a new approach in the search for efficient acceptor molecules for solar cells and new guidelines for future photovoltaic material design.

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Multichromophore Integrated Panchromatic Azaborondipyrromethenes: Synthesis, Characterization, and Exploring the Role of AzaBODIPY as an Energy and Electron Relay in Photoinduced Processes

Anjaiah

Rajesh

Giribabu

et al. 2023

Chemistry An Asian Journal

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Panchromatic azaborondipyrromethenes directly connected with N,N‐ditolylaniline (TPA) and naphthalene (Naph) at 1,7‐ and/or 3,5‐positions of the azaBODIPY platform, 1, 2, and 3, were synthesized and the roles of the individual chromophore constituents in the photo‐induced energy and electron transfer processes have been investigated. Optical absorption studies have indicated that integrating the complementary absorbers, naphthalene and TPA moieties, into the azaBODIPY core yielded broad‐band capturing dyes with the absorption ranging from 250–1000 nm. Parallel electrochemical studies revealed that TPA moiety in 1 and 2 is easier to oxidize when compared to azaBODIPY moiety, which are in congruent with the computational studies indicating that TPA moiety would behave as an electron donor and azaBODIPY as an acceptor in PET processes. Steady‐state fluorescence studies indicated that the photo‐excitation of the TPA moiety in 2 resulted in the occurrence of PET from 1TPA* to azaBODIPY generating (TPA)2+⋅‐(azaBODIPY)−⋅ while that of naphthalene in 3 resulted in PEnT from 1(naphthalene)* to azaBODIPY forming (Naph)2‐1(azaBODIPY)*. Interestingly, in 1, excitation of naphthalene moiety resulted in sequential PEnT from 1(naphthalene)* to azaBODIPY followed by the PET from TPA to 1(azaBODIPY)* generating a charge‐separated state, (TPA)2+⋅‐(azaBODIPY)−⋅‐(Naph)2 Fluorescence lifetime studies have indicated that the electron and energy transfer processes occurred in nanosecond time scales.

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A strategy of designing near-infrared porphyrin-based non-fullerene acceptors for panchromatic organic solar cells

Cited by 13 publications

References 43 publications

Evaluating Zn‐Porphyrin‐Based Near‐IR‐Sensitive Non‐Fullerene Acceptors for Efficient Panchromatic Organic Solar Cells

Evaluating Zn‐Porphyrin‐Based Near‐IR‐Sensitive Non‐Fullerene Acceptors for Efficient Panchromatic Organic Solar Cells

Gold(III) Porphyrin Was Used as an Electron Acceptor for Efficient Organic Solar Cells

Multichromophore Integrated Panchromatic Azaborondipyrromethenes: Synthesis, Characterization, and Exploring the Role of AzaBODIPY as an Energy and Electron Relay in Photoinduced Processes

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