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Design and Synthesis of Organic Materials for OLED Applications

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

Deadline for manuscript submissions: 31 March 2026

Special Issue Editor


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Guest Editor
Institute of Data Science and Digital Technologies, Vilnius University, Akademijos Str. 4, 08412 Vilnius, Lithuania
Interests: organic chemistry; DFT calculations; optoelectronics; TADF; OLED

Special Issue Information

Dear Colleagues,

The rapid evolution of electronic devices ranging from smartphones and tablets to TVs and digital displays has driven intense research into materials that support lightweight, high-resolution, and energy-efficient technologies. Among the most promising solutions are organic semiconductors, which have gained significant traction due to their low processing costs, mechanical flexibility, tunable properties, and environmental compatibility. These materials now play a pivotal role in the development of organic field-effect transistors (OFETs), organic solar cells (OSCs), sensors, and particularly organic light-emitting diodes (OLEDs), which have become central to modern display technologies.

As OLEDs gain widespread commercial use, the demand for improved emissive materials, especially those delivering efficient and stable blue, red, and green emission, continues to grow. Research progress in phosphorescent and thermally activated delayed fluorescence (TADF) materials has helped address performance gaps, yet further innovation is necessary to meet increasing industry expectations. In this context, density functional theory (DFT) calculations play a crucial role in guiding molecular design, enabling the prediction and optimization of key electronic and optical properties prior to synthesis.

This Special Issue presents a comprehensive review of recent advances in both organic emissive materials and device-engineering approaches. It maps out the landscape of materials under exploration, including small molecules, conjugated polymers, organometallic complexes, perovskite-based systems, and carbon dots. In addition, the review highlights progress in multilayer OLED device architectures, focusing on organic interfacial layers such as PEDOT:PSS alternatives, charge injection/transport layers, and cathode/anode modifiers, all of which are essential for improving charge balance and extending device lifetime.

By unifying insights from computational chemistry, materials science, and engineering design, this Special Issue aims to offer a forward-looking perspective on the pathways toward next-generation OLED technologies and their integration into future optoelectronic applications.

Dr. Dalius Gudeika
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

  • OLED
  • TADF
  • DFT calculations
  • organic light-emitting transistors (OLETs)
  • optoelectronics
  • emissive materials
  • multilayer device architectures

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Published Papers

This special issue is now open for submission.
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