Efficient light-to-current conversion by organic–inorganic interfacial charge-transfer transitions in TiO2 chemically adsorbed with 2-anthroic acid

Fujisawa, Jun–ichi; Nagata, Morio

doi:10.1016/j.cplett.2014.11.049

Cited by 56 publications

(63 citation statements)

References 27 publications

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“…The reported data indicate that LHE values at the IPCE-maximum wavelengths are close to 1. [2,9,10] Fig. 7(b) shows the calculated curves obtained by Eq 6 with LHE of 0.86 and c of 1×10 16 (solid curve) and 1×10 26 (dashed curve)).…”

Section: Activation-energy Dependence Of Ipcementioning

confidence: 96%

“…4. The respective adsorption structures were reported in the literature [1][2][3]9,10,[13][14][15]. Such mono-Ti model complexes have been widely used for the calculations of ICT transitions in TiO 2 nanoparticle adsorbed with the organic molecules, well reproducing the energies of the ICT absorption bands.…”

Section: Computational Detailsmentioning

confidence: 99%

“…In all the calculations, solvation effects of acetonitrile used in the reported experiments [3,9,10] were taken into account with the conductor-like polarizable continuum model (CPCM) [22,23], since CPCM is one of successful solvation models. [24] All the calculations were performed by using a Gaussian 09 software [25].…”

Section: Computational Detailsmentioning

confidence: 99%

“…with the experimental results. [1][2][3]9,10,[13][14][15] The dominant ICT excitations in the former three compounds are assigned to the higher ICT excitations. Since it is well-known that nonradiative relaxations from higher-energy electronically-excited states to the S 1 state take place quite quickly within a few picoseconds according to the energy-gap law, the reported IPCE maximum values in Fig.…”

Section: Computational Detailsmentioning

confidence: 99%

“…The other is TiO 2 nanoparticles chemically adsorbed with 2-anthroic acid (abbreviated to AT-COOH) showing IPCE of exceeding 85% (without applied voltage), as shown in Fig. 2(d) [10]. In these hybrids, carrier recombination is considered to be suppressed effectively.…”

Section: Introductionmentioning

confidence: 96%

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Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions

Fujisawa

2015

Phys. Chem. Chem. Phys.

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Interfacial charge-transfer (ICT) transitions are expected to be a novel charge-separation mechanism for efficient photovoltaic conversion featuring one-step charge separation without energy loss. Photovoltaic conversion due to ICT transitions has been investigated using several TiO2-organic hybrid materials that show organic-to-inorganic ICT transitions in the visible region. In applications of ICT transitions to photovoltaic conversion, there is a significant problem that rapid carrier recombination is caused by organic-inorganic electronic coupling that is necessary for the ICT transitions. In order to solve this problem, in this work, I have theoretically studied light-to-current conversions due to the ICT transitions on the basis of the Marcus theory with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. An apparent correlation between the reported incident photon-to-current conversion efficiencies (IPCE) and calculated reorganization energies was clearly found, in which the IPCE increases with decreasing the reorganization energy consistent with the Marcus theory in the inverted region. This activation-energy dependence was systematically explained by the equation formulated by the Marcus theory based on a simple excited-state kinetic scheme. This result indicates that the reduction of the reorganization energy can suppress the carrier recombination and enhance the IPCE. The reorganization energy is predominantly governed by the structural change in the chemical-adsorption moiety between the ground and ICT excited states. This work provides crucial knowledge for efficient photovoltaic conversion due to ICT transitions.

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Section: Activation-energy Dependence Of Ipcementioning

confidence: 96%

Section: Computational Detailsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 96%

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Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions

Fujisawa

2015

Phys. Chem. Chem. Phys.

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An Interhalogen‐Based Binary Redox Couple for the Efficiency Enhancement of Type‐II Dye‐Sensitized Solar Cells

Rahman,

Kwaku Asiam,

Chandra Deb Nath

et al. 2023

ChemistrySelect

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In this work, the photovoltaic (PV) performance of dye‐sensitized solar cells (DSSCs), sensitized with salicylic acid (SA) and indole‐3‐acetic (IAA) and mediated by iodide (I−)/tri‐iodide (I3−), binary‐redox system (I−, Br−)/(I3−, I2Br−), and bromide (Br−)/tri‐bromide (Br3−), were investigated. The (I−, Br−)/(I3−, I2Br−) redox electrolyte induced the highest recombination resistance at the TiO2/dye/electrolyte interface for both SA and IAA‐sensitized DSSCs. Concurrently, additive‐free binary electrolyte‐based cells showed enhanced dye regeneration capability and decreased rate of back reaction compared to the cells prepared with additive‐free I−/I3− and Br−/Br3− electrolytes. Energy band alignment of SA and IAA and the optical analyses revealed the direct one‐step electron injection into the conduction band of TiO2 upon photoexcitation. Further, additive‐containing electrolytes showed decreased PV performance compared to the additive‐free electrolytes in both molecules sensitized DSSCs, conceivably due to the increased rate of back reaction with decreased charge collection efficiency. Thus, a maximum power conversion efficiency (PCE) of 0.57 % was attained for SA‐sensitized DSSCs based on additive‐free binary redox mediator, while the PCE values for additive‐free I−/I3− and Br−/Br3− electrolytes‐based identical cells were 0.19 and 0.54 %, respectively. This research suggests that the binary redox couple is a potential candidate for the PCE improvement of type‐II DSSCs.

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Organic–Inorganic Hybrid Nanomaterials: Synthesis, Characterization, and Application

Lazić

Nedeljković

2019

Nanomaterials Synthesis

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Efficient light-to-current conversion by organic–inorganic interfacial charge-transfer transitions in TiO2 chemically adsorbed with 2-anthroic acid

Cited by 56 publications

References 27 publications

Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions

Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions

An Interhalogen‐Based Binary Redox Couple for the Efficiency Enhancement of Type‐II Dye‐Sensitized Solar Cells

Organic–Inorganic Hybrid Nanomaterials: Synthesis, Characterization, and Application

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