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Advanced Optoelectronic Materials with Outstanding Chemical and Physical Properties: Design, Characterization and Applications

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: 31 July 2024 | Viewed by 2787

Special Issue Editor

Dr. Golibjon Berdiyorov

E-Mail Website
Guest Editor
Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha, Qatar
Interests: computational chemistry; molecular electronics; optoelectronic properties molecular and low-dimensional systems; rectenna-based sensors and solar cells; molecular self-assembly; electronic transport at the nanoscale

Special Issue Information

Dear Colleagues,

Organic optoelectronic materials have received a revival of interest in recent years due to the advances in molecular synthesis, molecular self-assembly based nanofabrication, and computational chemistry with machine learning support. They have a potential for practical applications in light-emitting diodes, sensors/detectors, solar cells, thin film transistors, and many others due to, e.g., low cost, room-temperature processing, and large area fabrication. A fundamental understanding of chemical and physical properties of the optoelectronic materials will further advance the functionality and performance of the optoelectronic devices. 

The main goal of this Special Issue is to provide a forum for research teams to highlight the recent advances in organic, organometallic, and low-dimensional optoelectronic materials development for sourcing, detecting, and controlling the light in different ranges of the spectrum. Both theoretical and experimental works are welcome to explore the optoelectronic properties of small organic molecules, conjugated polymers, organometallic materials, as well as functional low-dimensional materials. The capabilities of different experimental techniques to characterize these optoelectronic materials and the performance of the optoelectronic devices (e.g., organic solar cells, light-emitting diodes, photorefractive devices, and photodetectors) to transduce the optical signal to electricity (or vice versa) will be presented by selected research teams. The dynamics of photogenerated charge carriers will also be a topic of discussions in this Special Issue. It also welcomes review papers that present the current status of the research and outlines further advancement in the field.

Submitted manuscripts should cover, but are not limited to, the following research topics:

  • Optoelectronic materials-based on photochromatic molecules.
  • Electronic and optical properties of molecular crystals and conductive polymers.
  • Light-induced molecular switches and memory devices.
  • Molecular self-assembly based optically active materials.
  • Organometallic materials (e.g., metal-halide perovskites).
  • Metal organic assemblies/frameworks.
  • 2D materials with optical functionalities.
  • Novel synthesis methods and advanced characterization tools.

Dr. Golibjon Berdiyorov
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • photochromatic molecular switches
  • molecular self-assemblis
  • metal-organic frameworks
  • optoelectronic 2D materials
  • synthesis and characterization methods for optoelectronic materials

Published Papers (4 papers)

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Research

14 pages, 4529 KiB  
Article
Optical and Electrical Properties of AlxGa1−xN/GaN Epilayers Modulated by Aluminum Content
by Wenwang Wei, Yanlian Yang, Yi Peng, Mudassar Maraj and Wenhong Sun
Molecules 2024, 29(5), 1152; https://doi.org/10.3390/molecules29051152 - 05 Mar 2024
Viewed by 572
Abstract
AlGaN-based LEDs are promising for many applications in deep ultraviolet fields, especially for water-purification projects, air sterilization, fluorescence sensing, etc. However, in order to realize these potentials, it is critical to understand the factors that influence the optical and electrical properties of the [...] Read more.
AlGaN-based LEDs are promising for many applications in deep ultraviolet fields, especially for water-purification projects, air sterilization, fluorescence sensing, etc. However, in order to realize these potentials, it is critical to understand the factors that influence the optical and electrical properties of the device. In this work, AlxGa1−xN (x = 0.24, 0.34, 0.47) epilayers grown on c-plane patterned sapphire substrate with GaN template by the metal organic chemical vapor deposition (MOCVD). It is demonstrated that the increase of the aluminum content leads to the deterioration of the surface morphology and crystal quality of the AlGaN epitaxial layer. The dislocation densities of AlxGa1−xN epilayers were determined from symmetric and asymmetric planes of the ω-scan rocking curve and the minimum value is 1.01 × 109 cm−2. The (101¯5) plane reciprocal space mapping was employed to measure the in-plane strain of the AlxGa1−xN layers grown on GaN. The surface barrier heights of the AlxGa1−xN samples derived from XPS are 1.57, 1.65, and 1.75 eV, respectively. The results of the bandgap obtained by PL spectroscopy are in good accordance with those of XRD. The Hall mobility and sheet electron concentration of the samples are successfully determined by preparing simple indium sphere electrodes. Full article
(This article belongs to the Special Issue Advanced Optoelectronic Materials with Outstanding Chemical and Physical Properties: Design, Characterization and Applications)
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14 pages, 6415 KiB  
Article
Density Functional Theory Unveils the Secrets of SiAuF3 and SiCuF3: Exploring Their Striking Structural, Electronic, Elastic, and Optical Properties
by Fekhra Hedhili, Hukam Khan, Furqan Ullah, Mohammad Sohail, Rajwali Khan, Omar H. Alsalmi, Hussein Alrobei, Khamael M. Abualnaja, Ghaida Alosaimi and Hissah Saedoon Albaqawi
Molecules 2024, 29(5), 961; https://doi.org/10.3390/molecules29050961 - 22 Feb 2024
Viewed by 475
Abstract
In the quest for advanced materials with diverse applications in optoelectronics and energy storage, we delve into the fascinating world of halide perovskites, focusing on SiAuF3 and SiCuF3. Employing density functional theory (DFT) as our guiding light, we conduct a [...] Read more.
In the quest for advanced materials with diverse applications in optoelectronics and energy storage, we delve into the fascinating world of halide perovskites, focusing on SiAuF3 and SiCuF3. Employing density functional theory (DFT) as our guiding light, we conduct a comprehensive comparative study of these two compounds, unearthing their unique structural, electronic, elastic, and optical attributes. Structurally, SiAuF3 and SiCuF3 reveal their cubic nature, with SiCuF3 demonstrating superior stability and a higher bulk modulus. Electronic investigations shed light on their metallic behavior, with Fermi energy levels marking the boundary between valence and conduction bands. The band structures and density of states provide deeper insights into the contributions of electronic states in both compounds. Elastic properties unveil the mechanical stability of these materials, with SiCuF3 exhibiting increased anisotropy compared to SiAuF3. Our analysis of optical properties unravels distinct characteristics. SiCuF3 boasts a higher refractive index at lower energies, indicating enhanced transparency in specific ranges, while SiAuF3 exhibits heightened reflectivity in select energy intervals. Further, both compounds exhibit remarkable absorption coefficients, showcasing their ability to absorb light at defined energy thresholds. The energy loss function (ELF) analysis uncovers differential absorption behavior, with SiAuF3 absorbing maximum energy at 6.9 eV and SiCuF3 at 7.2 eV. Our study not only enriches the fundamental understanding of SiAuF3 and SiCuF3 but also illuminates their potential in optoelectronic applications. These findings open doors to innovative technologies harnessing the distinctive qualities of these halide perovskite materials. As researchers seek materials that push the boundaries of optoelectronics and energy storage, SiAuF3 and SiCuF3 stand out as promising candidates, ready to shape the future of these fields. Full article
(This article belongs to the Special Issue Advanced Optoelectronic Materials with Outstanding Chemical and Physical Properties: Design, Characterization and Applications)
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11 pages, 2562 KiB  
Article
Molecular Design of Sexiphenyl-Based Liquid Crystals: Towards Temperature-Stable, Nematic Phases with Enhanced Optical Properties
by Jakub Herman, Piotr Harmata, Natan Rychłowicz and Przemysław Kula
Molecules 2024, 29(5), 946; https://doi.org/10.3390/molecules29050946 - 21 Feb 2024
Viewed by 476
Abstract
This research introduces a novel liquid crystal molecular design approach based on the para-sexiphenyl (6P) structure. Six new liquid crystalline materials were synthesized, incorporating an alkyl terminal and lateral substitutions of the sexiphenyl core to achieve temperature-stable and broad nematic phases. The synthetic [...] Read more.
This research introduces a novel liquid crystal molecular design approach based on the para-sexiphenyl (6P) structure. Six new liquid crystalline materials were synthesized, incorporating an alkyl terminal and lateral substitutions of the sexiphenyl core to achieve temperature-stable and broad nematic phases. The synthetic pathway involved cross-coupling, resulting in derivatives with strong nematogenic characteristics. Optical investigations demonstrated that the tested material had high birefringence values, making it promising for optical and electronic applications. These results open up new avenues of research and offer potential practical applications in electronics, photonics, optoelectronics and beyond. Full article
(This article belongs to the Special Issue Advanced Optoelectronic Materials with Outstanding Chemical and Physical Properties: Design, Characterization and Applications)
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17 pages, 7433 KiB  
Article
Enhancing c-Si Solar Cell Efficiency in the UV Region: Photophysical Insights into the Use of Eu3+ Complexes for Down-Shifting Layer Applications
by Fabian Vargas, Ronald Nelson, Dario Espinoza, Ivan Brito, Laura Sánchez-Muñoz, Pere Alemany, Sergio Ortiz, Pablo Ferrada, Alifhers Mestra and Jaime Llanos
Molecules 2023, 28(23), 7924; https://doi.org/10.3390/molecules28237924 - 04 Dec 2023
Viewed by 935
Abstract
[Eu(3DPIQC)3] (where DPIQC = 3-(diphenyl phosphoryl)-1-isoquinolinecarboxylate), a luminescent europium complex with antenna ligands, has been carefully embedded within a polyvinyl butyral (PVB) matrix and the resulting material was used to prepare films used as luminescent down-shifting layers (LDSLs) for [...] Read more.
[Eu(3DPIQC)3] (where DPIQC = 3-(diphenyl phosphoryl)-1-isoquinolinecarboxylate), a luminescent europium complex with antenna ligands, has been carefully embedded within a polyvinyl butyral (PVB) matrix and the resulting material was used to prepare films used as luminescent down-shifting layers (LDSLs) for crystalline Si-based solar cells. The films were characterized using photoluminescence spectroscopy, atomic force spectroscopy (AFM), UV-Vis spectroscopy, and fluorescence microscopy. The AFM analysis shows films with low surface roughness, while fluorescence microscopy revealed that the Eu complex embedded in PVB assumed a spheroidal configuration, a morphology especially beneficial for optical applications. The so-obtained LDSLs were utilized as energy converters in c-Si solar cells to enhance the utilization of high-energy photons, thereby improving their overall efficiency. The determination of photovoltaic parameters carried out before and after the deposition of the LDSLs on the c-Si cells confirms a positive effect on the efficiency of the cell. The Jsc increases from 121.6 mA/cm2 to 124.9 mA/cm2, and the open circuit voltage (Voc) is found to be unrelated to the complex concentration in the films. The fill factor (FF) remains constant with the Eu concentration. The EQE curves indicate an enhancement in the performance of the photovoltaic cells within the UV region of the spectrum for all coated devices. Electrochemical impedance spectroscopy (EIS) was also carried out in order to analyze the effect of the Eu complex in the charge transfer process of the devices. Full article
(This article belongs to the Special Issue Advanced Optoelectronic Materials with Outstanding Chemical and Physical Properties: Design, Characterization and Applications)
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