Carbazole‐Based Molecular Glasses as Hole‐Transporting Materials in Solid State Dye‐Sensitized Solar Cells

Bui, Thanh‐Tuân; Shah, Said Karim; Abbas, Mamatimin; Sallenave, Xavier; Sini, Gjergji; Hirsch, Lionel; Goubard, Fabrice

doi:10.1002/cnma.201500014

Cited by 34 publications

(38 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In this phase, the contacts between the HTM and the sensitizer are maximized,thus increasing the charge transport and and hence the performance of the ssDSSC. [13][14][15] Following Eq.2, high hopping rates and high charge carrier mobility require a low value of λ while transport integrals J ij must be high. Tab.4 reports the values of the hole and electron reorganization energies.…”

Section: Charge Transport Propertiesmentioning

confidence: 99%

See 1 more Smart Citation

Theoretical Investigation of Hole Transporter Materials for Energy Devices

et al. 2015

View full text Add to dashboard Cite

We present combined MD-DFT calculations to investigate the electronic, optical and charge transport properties of six triphenylamine based Hole Transporter Materials (HTM) used in solid-state dye sensitized solar cells (ssDSSC), including the state of the art material in this field, 2,2',7,7'-Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'spirobifluorene (Spiro-OMeTAD). We find that all the studied materials present typical features of a HTM: 1) delocalized Highest Occupied Molecular Orbital (HOMO); 2) hole reorganization energies higher than the electronic ones; 3) transparency in the visible region of the electromagnetic spectrum. Among the investigated compounds, 4-(4-phenyl-4-α-naphthylbutadienyl)-N,N-di(4-tolyl)-phenylamine (HTM1) shows the most promising features: a low HOMO energy level that favors high open circuit voltage in solar cells, high adiabatic ionization potential ensuring great stability in terms of resistance to ionization and small exciton binding energy. Our results also indicate that the presence of a butadiene moiety in HTM1 is somehow responsible for a higher molecular flexibility, thus favoring the pore filling of the semiconductor in ssDSSC.Finally, its optimal charge delocalization favors the overlap of the atomic orbitals, thus enhancing the electronic couplings, while its low energetic disorder causes a high hole mobility in the amorphous phase. The obtained results are in qualitative and quantitative agreement with the experimental data and suggest that the current computational approach could be further employed to obtain valuable insights for the design of new HTMs aiming at improving the performances of presently available ssDSSC. . (8) Kroeze, J. E.; Hirata, N.; Schmidt-Mende, L.; Orizu, C.; Ogier, S. D.; Carr, K.; Grätzel, M.; Durrant, J. R. Parameters Influencing Charge Separation in Solid-State 21

show abstract

Section: Charge Transport Propertiesmentioning

confidence: 99%

“…Bui et al fabricated carbazole-based HTMs with high solubility, low molar weight 3 and able to operate in the amorphous phase. [13][14][15] Song et al 16 and Lv et al 17 designed novel small HTMs synthesizable with a simple low-cost process obtaining high device performances.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of Hole Transporter Materials for Energy Devices

et al. 2015

View full text Add to dashboard Cite

show abstract

“…A second comparison can be made between the work of Degbia et al and that of Bui et al, as they both reported devices fabricated with the same dye and hole conductor, named 1 255 and 2a, 256 respectively. This compound is similar to 3b and X19 but it features an ethyl group attached to the nitrogen of the carbazole instead of a p-methoxyphenyl one.…”

Section: Organic Hole Transporting Materialsmentioning

confidence: 99%

The researcher's guide to solid-state dye-sensitized solar cells

2018

View full text Add to dashboard Cite

show abstract

“…On the other hand, molecular HTMs are beneficial in terms of synthetic reproducibility and well‐defined molecular weight and structure. Among the various organic HTMs that have been developed, our interest has focused on arylamine derivatives, which offer interesting electrochemical properties, good charge‐transport properties, and high thermal and morphological stabilities . Among these compounds, a number of simple donor−π−donor molecular HTMs have been synthetized by varying the central π linker and the end‐capping arylamine derivatives .…”

Section: Introductionmentioning

confidence: 99%

Triphenylamine–Thienothiophene Organic Charge‐Transport Molecular Materials: Effect of Substitution Pattern on their Thermal, Photoelectrochemical, and Photovoltaic Properties

Dao

Nghiêm

et al. 2018

Chemistry An Asian Journal

Self Cite

View full text Add to dashboard Cite

Two readily accessible thienothiophene-triphenylamine charge-transport materials have been synthesized by simply varying the substitution pattern of the triphenylamine groups on a central thienothiophene π-linker. The impact of the substitution pattern on the thermal, photoelectrochemical, and photovoltaic properties of these materials was evaluated and, based on theoretical and experimental studies, we found that the isomer in which the triphenylamine groups were located at the 2,5-positions of the thienothiophene core (TT-2,5-TPA) had better π-conjugation than the 3,6-isomer (TT-3,6-TPA). Whilst the thermal, morphological, and hydrophobic properties of the two materials were similar, their optoelectrochemical and photovoltaic properties were noticeably impacted. When applied as hole-transport materials in hybrid perovskite solar cells, the 2,5-isomer exhibited a power-conversion efficiency of 13.6 %, much higher than that of its 3,6-counterpart (0.7 %) under the same standard conditions.

show abstract

Carbazole‐Based Molecular Glasses as Hole‐Transporting Materials in Solid State Dye‐Sensitized Solar Cells

Cited by 34 publications

References 42 publications

Theoretical Investigation of Hole Transporter Materials for Energy Devices

Theoretical Investigation of Hole Transporter Materials for Energy Devices

The researcher's guide to solid-state dye-sensitized solar cells

Triphenylamine–Thienothiophene Organic Charge‐Transport Molecular Materials: Effect of Substitution Pattern on their Thermal, Photoelectrochemical, and Photovoltaic Properties

Contact Info

Product

Resources

About