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Inorganics
Special Issues
Optoelectronic Materials and Novel Devices
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Optoelectronic Materials and Novel Devices

A Special Issue of Inorganics (ISSN 2304-6740) belonging to the section "Inorganic Materials".

Deadline for manuscript submissions: 31 January 2027 | Viewed by 136

Editor

Prof. Dr. Rihui Yao

E-Mail Website
Guest Editor
School of Materials Science and Engineering, South China University of Technology, Guangzhou, China
Interests: optoelectronic materials and devices; including TFT devices for AMOLED; AMOLED display technology; semiconductor lighting technology

Special Issue Information

Dear Colleagues,

This Special Issue warmly invites researchers working in the field of optoelectronic materials and devices to share their latest findings. We welcome contributions spanning luminescent materials, next-generation display technologies, solar cells, photodetection, and photoelectric conversion, as well as related theoretical simulations and computational studies. We hope this Special Issue will serve as a high-quality platform for academic exchange, bringing together cutting-edge advances in both fundamental research and device applications, and collectively driving the translation of novel optoelectronic materials into practical technologies.

Inorganics has long been committed to the chemistry and functional properties of inorganic and organometallic compounds, with particular attention to the intrinsic relationships between material structure and performance. The mainstream material systems in the optoelectronics field—including metal halide perovskites, transition metal oxides, chalcogenides, and coordination compounds—fall squarely within the journal's scope. We sincerely welcome contributions from researchers across the community and look forward to building, together, a vibrant and impactful collection that reflects the exciting progress being made in this field.

Prof. Dr. Rihui Yao
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 250 words) can be sent to the Editorial Office for assessment.

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-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Inorganics is an international peer-reviewed open access monthly 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 2200 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

  • optoelectronic materials
  • luminescent materials
  • solar cells
  • photodetection
  • advanced displays
  • photoelectric conversion
  • metal halide perovskites
  • organic–inorganic hybrid materials
  • thin-film devices
  • semiconductor heterojunctions
  • light-emitting diodes (LEDs)
  • structure–property relationships

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (1 paper)

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Research

20 pages, 3726 KB  
Article
Convergence of Surface States on Al(001) Slabs: Implications for Optoelectronic Modeling
by Xihui Liang and Dah-An Luh
Inorganics 2026, 14(10), 254; https://doi.org/10.3390/inorganics14100254 - 30 Sep 2026
Abstract
Density functional theory (DFT) calculations of metallic surfaces routinely employ periodic slab models in which spurious coupling between top and bottom surfaces artificially splits surface states, yet the thickness required to eliminate this artifact remains poorly characterized. Here, we systematically investigate convergence of [...] Read more.
Density functional theory (DFT) calculations of metallic surfaces routinely employ periodic slab models in which spurious coupling between top and bottom surfaces artificially splits surface states, yet the thickness required to eliminate this artifact remains poorly characterized. Here, we systematically investigate convergence of surface states at the Γ¯ point of Al(001) slabs as a function of slab thickness (11–81 atomic layers) and relaxation depth (3–11 layers). The splitting and energy position of the surface states are largely insensitive to the relaxation depth, but depend strongly on the slab thickness. At Γ¯, for symmetric relaxation, the splitting decays exponentially with slab thickness, requiring at least 55 layers to fall below 10 meV; for asymmetric relaxation, a persistent splitting of ∼35 meV does not vanish even in the thick-slab limit. We interpret this behavior using a two-state coupling model. For practical comparison with experimental binding energies, the midpoint energy Emid of a symmetric 31-layer slab offers a computationally efficient alternative to full decoupling for the Γ¯ surface states. For asymmetric slabs, however, the lower-energy branch Elow, corresponding to the relaxed surface, should be used instead of midpoint averaging. These results establish validated convergence criteria for Al(001) and provide a methodological framework transferable to other metallic optoelectronic materials. Full article
(This article belongs to the Special Issue Optoelectronic Materials and Novel Devices)
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