The concept of transport energy is the most transparent theoretical approach to describe hopping transport in disordered systems with steeply energy dependent density of states (DOS), in particular in organic semiconductors with Gaussian DOS. This concept allows one to treat hopping transport in the framework of a simple multiple-trapping model, replacing the mobility edge by a particular energy level called the transport energy. However, there is no consensus among researchers on the position of this transport level. In this article, we suggest a numerical procedure to find out the energy level most significantly contributing to charge transport in organic semiconductors. The procedure is based on studying the effects of DOS modifications on the charge carrier mobility in straightforward computer simulations. We also show why the most frequently visited energy, computed in several numerical studies to determine the transport energy, is not representative for charge transport.
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http://dx.doi.org/10.1088/0953-8984/26/25/255801 | DOI Listing |
J Phys Chem B
January 2025
Department of Chemistry, Sungkyunkwan University, Suwon 16419, Republic of Korea.
Physical vapor deposition is widely used in the fabrication of organic light-emitting diodes and has the potential to adjust the density and orientation through substrate temperature control, which may lead to enhanced electrical performance. However, it is unclear whether this enhanced property is because of the horizontal molecular orientation or the increased density. The effects of the density and orientation on the electrical properties of a potential electron transport material, (3-dibenzo[c,h]acridin-7-yl)phenyl)diphenylphosphine oxide (TPPO-dibenzacridine), were investigated.
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January 2025
Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.
To solve the energy crisis and environmental issues, it is essential to create effective and sustainable energy conversion and storage technologies. Traditional materials for energy conversion and storage however have several drawbacks, such as poor energy density and inadequate efficiency. The advantages of MOF-based materials, such as pristine MOFs, also known as porous coordination polymers, MOF composites, and their derivatives, over traditional materials, have been thoroughly investigated.
View Article and Find Full Text PDFMolecules
January 2025
Research Group of Environmental and Inorganic Photochemistry, Center for Natural Sciences, Faculty of Engineering, University of Pannonia, P.O. Box 158, H-8201 Veszprém, Hungary.
Graphitic carbon nitride (g-CN) proved to be a promising semiconductor for the photocatalytic degradation of various organic pollutants. However, its efficacy is limited by a fast electron hole recombination, a restricted quantity of active sites, and a modest absorption in the visible range. To overcome these limitations, g-CN-BiS and g-CN-ZnS composites were effectively produced utilizing a starch-assisted technique.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Departamento de Química Orgánica, Universidad de Zaragoza, 50009 Zaragoza, Spain.
Dye-sensitization is a promising strategy to improve the light absorption and photoactivity abilities of wide-bandgap semiconductors, like TiO. For effective water-splitting photoanodes with no sacrificial agents, the electrochemical potential of the dye must exceed the thermodynamic threshold needed for the oxygen evolution reaction. This study investigates two promising organic cyanoacrylic dyes, designed to meet that criterion by means of theoretical calculations.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
King Abdulaziz City for Science and Technology (KACST), Microelectronics and Semiconductors Institute, Mailbox 6086, Riyadh 11442, Saudi Arabia.
With growing environmental concerns and the need for sustainable energy, multifunctional materials that can simultaneously address water treatment and clean energy production are in high demand. In this study, we developed a cost-effective method to synthesize zinc oxide (ZnO) nanowires via the anodic oxidation of zinc foil. By carefully controlling the anodization time, we optimized the Zn/ZnO-5 min electrode to achieve impressive dual-function performance in terms of effective photoelectrocatalysis for water splitting and waste water treatment.
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