How graphene strengthened molecular photoelectric performance of solar cells: A photo current-voltage assessment

Zhao, Dongpeng; Saputra, Reza Medi; Song, Peng; Yang, Yanhui; Li, Yuanzuo

doi:10.1016/j.solener.2020.11.034

Cited by 31 publications

(7 citation statements)

References 66 publications

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“…Few theoretical efforts have attempted to predict the values J sc , V oc , and η. Recently, Zhao and co-workers 24 studied four triazatruxene-based dyes by modified π-linker and anchoring units using density functional theory (DFT) and timedependent density functional theory (TD-DFT). Comprehensive calculations were carried out to predict the PCE parameters.…”

Section: T H Imentioning

confidence: 99%

Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube

Al−Qurashi

Wazzan

2021

ACS Omega

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The power conversion efficiency (η) is the most important key to determine the efficiency of dye-sensitized solar cell (DSSC) devices. However, the calculation of η theoretically is a challenging issue since it depends on a large number of experimental and theoretical parameters with extensive related data. In this work, η was successfully predicted using the improved normal model with density functional theory (DFT) and time-dependent density functional theory (TD-DFT) for eight diphenylthienylamine-based (DP-based) dyes with various π-bridge adsorbed on titanium dioxide. The titanium dioxide is represented by a nanotube surface (TiO 2 NT); this surface is rarely investigated in the literature. The π-linker consists of five (DP1)- or six (DP2)-membered rings and contains none to three nitrogen atoms (D0–D3). The reliability of the estimated values was confirmed by the excellent agreement with those available for the two experimentally tested ones (DP2-D0 and DP2-D2). The deviations between the experimental and estimated values were in the ranges of 0.03 to 0.06 mA cm –2 , 0.05 to 0.3 mV, and 0.37 to 0.18% for short-circuits current density ( J sc ), open-circuit voltage ( V oc ), power conversion efficiency (%η), respectively. More importantly, the results revealed that using pyridine (DP2-D1), pyrimidine (DP2-D2), and 1,2,4-triazine (DP2-D3) improves the power conversion efficiencies in the range of 6.03 to 6.90%. However, the cyclopenta-1,3-diene (DP1-D0) shows superior performance with a predicted η value that reaches 9.55%.

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Section: T H Imentioning

confidence: 99%

Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube

Al−Qurashi

Wazzan

2021

ACS Omega

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“…[ 56,57 ] Marcus's theory can be used to estimate electron recombination rates ( K rec ) in intrapath recombination. [ 58–61 ] The length between the triphenylamine segment and the semiconductor is specified as the electron recombination distance, as shown in Figure . The measured length of the charge recombination is declined: SBT‐Chl (37.295 Å) > SBT‐BChl (36.064 Å) > SBT (19.469 Å) > BT (18.972 Å).…”

Section: Resultsmentioning

confidence: 99%

“…[56,57] Marcus's theory can be used to estimate electron recombination rates (K rec ) in intrapath recombination. [58][59][60][61] The length between the triphenylamine segment and the semiconductor is specified as the electron recombination distance, as shown in The process of outer-path recombination is caused by the interaction between the photosensitizer and the redox pair. [62] The iodine electrolytes are more likely to combine S and N atoms of the photosensitizer via a halogen bond.…”

Section: Charge Recombination Analysismentioning

confidence: 99%

Enhanced Photovoltaic Property and Panchromatic Photocatalytic by Forming D‐π‐A‐Bacteriochlorin Dyads: A Computational Investigation

Yang

Song

et al. 2023

Solar RRL

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Over the last few decades, the energy requirements have steadily increased along with our patterns of life and industrial growth, and presently the main energy consumption comes from fossil energy. The combustion of excessive fossil fuels produces harmful gases, which not only pollute the ecological environment but also have an adverse impact on human health. In renewable energy, photovoltaic technology has attracted extensive attention because of its safety and reliability. Dyesensitized solar cells (DSSCs), as the third generation of solar cells, have become increasingly popular technology due to the secure fabricating mechanism and low-cost. [1][2][3] Since Grätzel and O'Regan invented the first DSSC with an efficiency of 7.1%, [4] scholars all over the world have made great efforts to improve efficiency. DSSC consists of five parts: photoanode, photocathode, semiconductor, redox pair, and photosensitizer. [5] Photosensitizer converts solar energy into electric energy by light excitation, which is the core part of the DSSC and has a decisive impact on the photoelectric conversion efficiency (PCE). Organic dyes are widely used in the field of DSSC because they are convenient to obtain and easy to synthesize and purify. In addition to DSSCs, the photocatalytic method also will be decisive in handling environmental problems and alleviating the energy crunch. Nowadays, TiO 2 -based photocatalysts have attracted massive attention because of their high physical and chemical stability, low toxicity, abundance, and economics. [6,7] However, the disadvantage is the large band gap, and the clean TiO 2 only behaves with photocatalytic activity under ultraviolet irradiation. Through surface modification of the TiO 2 with a low band gap, organic photosensitizers can improve the absorption range of TiO 2 -based photocatalysts into the visible region. [8,9] In the classical organic molecules with a D-π-A structure, D is the donor group to provide electrons and π is the conjugate bridge to expand the molecular length and improve light absorption, and A is the receptor to receive electrons, then inject them into the conduction band (CB) of TiO 2 . Based on this typical structure, many researchers began synthesizing different photosensitizers and improving their efficiencies. A metal-free organic dye with a high molar absorption coefficient and D-π-A structure was synthesized by Zeng et al. The new photosensitizer featuring a binary π-bridge of dithienosilole and ethylenedioxythiophene exhibited a PCE of 7.2%. [10] Zhou et al. designed numerous D-π-A construction organic molecules with a novel tetrathienoacene group as the conjugated spacer. As a result of the extensive

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“…However, the large bandgap of TiO 2 severely limits its photovoltaic and photocatalytic applications in the visible region of the solar spectrum. This problem can be solved by developing a second component for light absorbers, such as semiconductors and metal-organic dyes [19,20]. GQDs can be attached to the TiO 2 surface to form a heterojunction photocatalytic fuel cell.…”

Section: Introductionmentioning

confidence: 99%

Tunable nonradiative recombination dynamics and charge injection of graphene quantum dots for energy conversion applications by controllable functionalization

Cui

Xue

2023

Phys. Scr.

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Understanding the dependence of optoelectronic properties and charge transfer processes on the specified functionalization pattern of the graphene quantum dot (GQD) surface is key to deciphering the photovoltaic and photocatalytic mechanisms. In the present work, the photophysical properties and energy conversion efficiency of OCH3-functionalized GQDs are investigated using first-principle calculations. Furthermore, the nonradiative electron–hole recombination dynamics is analyzed using Fermi’s golden rule. Our results show that the OCH3 group has different binding energies on the GQD surface depending on its binding configuration and forms different oxidation patterns of the GQD controlled by the reaction temperature. Both basal and edge oxidation reduce the bandgaps of GQDs due to the electron localization effect, resulting in differing chemical stability. In addition, basal oxidation provides more degrees of freedom with which to tune the wavelengths and oscillator strengths of the low absorption peaks. Although edge oxidation provides a stronger electron-injection driving force from the GQDs into the TiO2 and facilitates charge separation, it also leads to faster nonradiative recombination, which reduces charge separation. Overall, our work reveals a detailed mechanistic picture of energy conversion in oxidized GQDs.

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How graphene strengthened molecular photoelectric performance of solar cells: A photo current-voltage assessment

Cited by 31 publications

References 66 publications

Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube

Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube

Enhanced Photovoltaic Property and Panchromatic Photocatalytic by Forming D‐π‐A‐Bacteriochlorin Dyads: A Computational Investigation

Tunable nonradiative recombination dynamics and charge injection of graphene quantum dots for energy conversion applications by controllable functionalization

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