Recent Advances in the Computational Characterization of π-Conjugated Organic Semiconductors

Due to their advantages of low-cost, light-weight, and mechanical flexibility, much attention has been focused on pi-conjugated organic semiconductors. In the past decade, although many materials with high performance has...

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Recent advances in microstructure characterization of fried foods: Different frying techniques and process modeling

Trends in Food Science & Technology ◽

10.1016/j.tifs.2021.03.033 ◽

2021 ◽

Author(s):

Jalal Dehghannya ◽

Michael Ngadi

Keyword(s):

Process Modeling ◽

Microstructure Characterization ◽

Recent Advances ◽

Fried Foods

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Special Issue: Advances in Computational Electromagnetics

Magnetochemistry ◽

10.3390/magnetochemistry7060089 ◽

2021 ◽

Vol 7 (6) ◽

pp. 89

Author(s):

Valerio De Santis

Keyword(s):

Rare Earth ◽

Magnetic Materials ◽

Permanent Magnets ◽

Computational Electromagnetics ◽

Superconducting Materials ◽

Special Issue ◽

Full Characterization ◽

Recent Advances

Recent advances in computational electromagnetics (CEMs) have made the full characterization of complex magnetic materials possible, such as superconducting materials, composite or nanomaterials, rare-earth free permanent magnets, etc [...]

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Synthesis and Theoretical Investigation Using DFT of 2,3-Diphenylquinoxaline Derivatives for Electronic and Photovoltaic Effects

Journal of Electronic Materials ◽

10.1007/s11664-021-09041-0 ◽

2021 ◽

Author(s):

Dorota Zając ◽

Dariusz Przybylski ◽

Jadwiga Sołoducho

Keyword(s):

Solar Cells ◽

Acrylic Acid ◽

Organic Semiconductors ◽

Organic Solar Cells ◽

Molecular Design ◽

Low Cost ◽

Design Synthesis ◽

Semiconducting Properties ◽

Homo Lumo

AbstractDeveloping effective and low‐cost organic semiconductors is an opportunity for the development of organic solar cells (OPV). Herein, we report the molecular design, synthesis and characterization of two molecules with D–A–D–A configuration: 2-cyano-3-(5-(8-(3,4-ethylenodioxythiophen-5-yl)-2,3-diphenylquinoxalin-5-yl)thiophen-2-yl)acrylic acid (6) and 2-cyano-3-(5-(2,3-diphenyl-8-(thiophen-2-yl)quinoxalin-5-yl)thiophen-2-yl)acrylic acid (7). Moreover, we investigated the structural, theoretical and optical properties. The distribution of HOMO/LUMO orbitals and the values of the ionization potential indicate good semiconducting properties of the compounds and that they can be a bipolar material. Also, the optical study show good absorption in visible light (λabs 380–550 nm). We investigate the theoretical optoelectronic properties of obtained compounds as potential materials for solar cells.

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