Screening for potential new materials with experimental and theoretical methods has led to the discovery of many promising candidate materials for p-type transparent conducting oxides. It is difficult to reliably assess a good p-type transparent conducting oxide (TCO) from limited information available at an early experimental stage. In this paper we discuss the influence of sample thickness on simple transmission measurements and how the sample thickness can skew the commonly used figure of merit of TCOs and their estimated band gap. We discuss this using copper-deficient CuCrO 2 as an example, as it was already shown to be a good p-type TCO grown at low temperatures. We outline a modified figure of merit reducing thickness-dependent errors, as well as how modern ab initio screening methods can be used to augment experimental methods to assess new materials for potential applications as p-type TCOs, p-channel transparent thin film transistors, and selective contacts in solar cells.
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http://dx.doi.org/10.3390/ma10091019 | DOI Listing |
Chem Asian J
January 2025
Kyoto University - Uji Campus: Kyoto Daigaku - Uji Campus, Institute for Chemical Research, Gokasho, 611-0011, Uji, JAPAN.
The development of efficient electron-collecting monolayer materials is desired to lower manufacturing costs and improve the performance of regular (negative-intrinsic-positive, n-i-p) type perovskite solar cells (PSCs). Here, we designed and synthesized four electron-collecting monolayer materials based on thiazolidinone skeletons, with different lowest-unoccupied molecular orbital (LUMO) levels (rhodanine or thiazolidinedione) and different anchoring groups to the transparent electrode (phosphonic acid or carboxylic acid). These molecules, when adsorbed on indium tin oxide (ITO) substrates, lower the work function of ITO, decreasing the energy barrier for electron extraction at the ITO/perovskite interface and improving the device performance.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan.
Two-dimensional (2D) β-TeO has gained attention as a promising material for optoelectronic and power device applications, thanks to its transparency and high hole mobility. However, the mechanisms driving its -type conductivity and dopability remain elusive. In this study, we investigate the intrinsic and extrinsic point defects in monolayer and bilayer β-TeO, the latter of which has been experimentally synthesized, using the Heyd-Scuseria-Ernzerhof (HSE) + D3 hybrid functional.
View Article and Find Full Text PDFACS Omega
December 2024
UCL Institute for Materials Discovery, University College London, Malet Place, London WC1E 7JE, United Kingdom.
Transparent conducting oxides (TCOs) are widely used in modern electronics because they have both high transmittance and good conductivity, which is beneficial for many applications such as light-emitting diodes. Tailoring electronic states and hence the conductive types by design is important for developing new materials with optimal properties for TCOs. SnO, with a wide band gap, low cost, no toxins, and high stability, is a promising host material for TCOs.
View Article and Find Full Text PDFHeliyon
November 2024
North South University, Dhaka, 1229, Bangladesh.
Phys Chem Chem Phys
December 2024
Bond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, People's Republic of China.
Based on density functional theory, we introduce a novel family of p-type transparent conductive oxides, SnPbNbO ( = 0, 0.5, 1.0, 1.
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