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New Hole Transporting Materials for Perovskite Solar Cells

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Energy Materials".

Deadline for manuscript submissions: closed (31 October 2021) | Viewed by 21625

Special Issue Editor


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Guest Editor
Molecular Science Institute (ICMol), University of Valencia, Valencia, Spain
Interests: thin film optoelectronic devices; molecular interactions; hybrid perovskite materials; perovskite solar cells; stability

Special Issue Information

Dear Colleagues,

In the last few years, hybrid metal halide perovskites have attracted enormous attention thanks to their unique combination of electrical and optical properties. They bring together high absorption coefficients, long carrier diffusion lengths, and low cost processability, opening new avenues for optoelectronic and photovoltaic applications.

A critical component in the PV system is the hole transporting material (HTM), which is essential for extracting the positive charges from the light absorber to the electrode.  However, the most efficient options to date rely on expensive semiconductors synthesized in multistep procedures and extensive product purification, such as 2,2′7,7′-tetrakis-(N,N-di-p-methoxyphenyl-amine)-9,9′-spirobifluorene (spiro-OMeTAD), a persistent caveat for their consolidation as a cost-effective technology.

Additionally, even though perovskite technology can overcome the current limits on PV manufacturing, it must comply with a lifetime expectation comparable to silicon-wafer based modules. However, due to the low conductivity of many HTMs in their pristine form they usually require the incorporation of dopants/additives to the layer, with limited stability. Moreover, perovskite materials suffer from severe decomposition activated by high temperature, ultraviolet light, and contamination from the environment. Though the mechanism is still not fully understood, recent investigations have put a great emphasis on the interfacial region, pointing out surface defects as plausible mediators inducing degradation. Therefore, not only are HTMs necessary to efficiently extract the photogenerated carriers at a low material cost, but also the surface passivation at the HTM interface could become a decissive factor to make this technology market-viable.

In this Special Issue, we would like to cover all important aspects concerning novel HTMs applied to perovskite PV, including photopysical investigations, studies on molecular interactions and aggregate formations, as well as innovations in solar cell architectures.

It is my pleasure to invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are all welcome.

Dr. Cristina Roldán Carmona
Guest Editor

Manuscript Submission Information

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Keywords

  • dopant-free
  • photovoltaic stability
  • surface passivation
  • perovskite solar cells
  • low-cost

Published Papers (1 paper)

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Research

17 pages, 3954 KiB  
Article
Novel Triarylamine-Based Hole Transport Materials: Synthesis, Characterization and Computational Investigation
by Laila M. Nhari, Reda M. El-Shishtawy, Qiuchen Lu, Yuanzuo Li and Abdullah M. Asiri
Materials 2021, 14(11), 3128; https://doi.org/10.3390/ma14113128 - 07 Jun 2021
Cited by 3 | Viewed by 21096
Abstract
Three novel triarylamine-based electron-rich chromophores were synthesized and fully characterized. Compounds 1 and 2 were designed with electron-rich triphenylamine skeleton bearing two and four decyloxy groups namely, 3,4-bis(decyloxy)-N,N-diphenylaniline and N-(3,4-bis(decyloxy)phenyl)-3,4-bis(decyloxy)-N-phenylaniline, respectively. The well-known electron-rich phenothiazine was introduced to [...] Read more.
Three novel triarylamine-based electron-rich chromophores were synthesized and fully characterized. Compounds 1 and 2 were designed with electron-rich triphenylamine skeleton bearing two and four decyloxy groups namely, 3,4-bis(decyloxy)-N,N-diphenylaniline and N-(3,4-bis(decyloxy)phenyl)-3,4-bis(decyloxy)-N-phenylaniline, respectively. The well-known electron-rich phenothiazine was introduced to diphenylamine moiety through a thiazole ring to form N,N-bis(3,4-bis(decyloxy)phenyl)-5-(10H-phenothiazin-2-yl)thiazol-2-amine (Compound 3). These three novel compounds were fully characterized and their UV–vis absorption indicated their transparency as a favorable property for hole transport materials (HTMs) suitable for perovskite solar cells. Cyclic voltammetry measurements revealed that the HOMO energy levels were in the range 5.00–5.16 eV for all compounds, indicating their suitability with the HOMO energy level of the perovskite photosensitizer. Density functional theory (DFT) and time-dependent DFT (TD-DFT) have been used to investigate the possibility of the synthesized compounds to be utilized as HTMs for perovskite solar cells (PSCs). The computational investigation revealed that the hole mobility of Compound 1 was 1.08 × 10−2 cm2 V−1 s−1, and the substitution with two additional dialkoxy groups on the second phenyl ring as represented by Compound 2 significantly boosted the hole mobility to reach the value 4.21 × 10−2 cm2 V−1 s−1. On the other hand, Compound 3, in which the third phenyl group was replaced by a thiazole-based phenothiazine, the value of hole mobility decreased to reach 5.93 × 10−5 cm2 V−1 s−1. The overall results indicate that these three novel compounds could be promising HTMs for perovskite solar cells. Full article
(This article belongs to the Special Issue New Hole Transporting Materials for Perovskite Solar Cells)
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