Δημοσιεύσεις

Project Acronym: STEM
Title: First-principles studies on emerging materials
Affiliation: national technical university of athens
Pi: Tsetseris Leonidas
Research Field: chemical sciences and materials

Copper (I) Selenocyanate (CuSeCN) as a Novel Hole‐Transport Layer for Transistors, Organic Solar Cells, and Light‐Emitting Diodes
by Wijeyasinghe Nilushi, Tsetseris Leonidas, Regoutz Anna, Sit Wai‐Yu, Fei Zhuping, Du Tian, Wang Xuhua, McLachlan Martyn A., Vourlias George, Patsalas Panos A., Payne David J., Heeney Martin and Anthopoulos Thomas D.
Abstract:
Abstract The synthesis and characterization of copper (I) selenocyanate (CuSeCN) and its application as a solution‐processable hole‐transport layer (HTL) material in transistors, organic light‐emitting diodes, and solar cells are reported. Density‐functional theory calculations combined with X‐ray photoelectron spectroscopy are used to elucidate the electronic band structure, density of states, and microstructure of CuSeCN. Solution‐processed layers are found to be nanocrystalline and optically transparent (>94%), due to the large bandgap of ≥3.1 eV, with a valence band maximum located at −5.1 eV. Hole‐transport analysis performed using field‐effect measurements confirms the p‐type character of CuSeCN yielding a hole mobility of 0.002 cm2 V−1 s−1. When CuSeCN is incorporated as the HTL material in organic light‐emitting diodes and organic solar cells, the resulting devices exhibit comparable or improved performance to control devices based on commercially available poly(3,4‐ethylenedioxythiophene):polystyrene sulfonate as the HTL. This is the first report on the semiconducting character of CuSeCN and it highlights the tremendous potential for further developments in the area of metal pseudohalides.
Reference:
Copper (I) Selenocyanate (CuSeCN) as a Novel Hole‐Transport Layer for Transistors, Organic Solar Cells, and Light‐Emitting Diodes (Wijeyasinghe Nilushi, Tsetseris Leonidas, Regoutz Anna, Sit Wai‐Yu, Fei Zhuping, Du Tian, Wang Xuhua, McLachlan Martyn A., Vourlias George, Patsalas Panos A., Payne David J., Heeney Martin and Anthopoulos Thomas D.), In Advanced Functional Materials, volume 28, 2018.
Bibtex Entry:
@article{doi:10.1002-adfm.201707319,
 author = {Wijeyasinghe Nilushi and Tsetseris Leonidas and Regoutz Anna and Sit Wai‐Yu and Fei Zhuping and Du Tian and Wang Xuhua and McLachlan Martyn A. and Vourlias George and Patsalas Panos A. and Payne David J. and Heeney Martin and Anthopoulos Thomas D.},
 title = {Copper (I) Selenocyanate (CuSeCN) as a Novel Hole‐Transport Layer for Transistors, Organic Solar Cells, and Light‐Emitting Diodes},
 journal = {Advanced Functional Materials},
 volume = {28},
 number = {14},
 pages = {1707319},
 year = {2018},
 bibyear = {2018},
 doi = {10.1002/adfm.201707319},
 url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/adfm.201707319},
 eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/adfm.201707319},
 abstract = {Abstract The synthesis and characterization of copper (I) selenocyanate (CuSeCN) and its application as a solution‐processable hole‐transport layer (HTL) material in transistors, organic light‐emitting diodes, and solar cells are reported. Density‐functional theory calculations combined with X‐ray photoelectron spectroscopy are used to elucidate the electronic band structure, density of states, and microstructure of CuSeCN. Solution‐processed layers are found to be nanocrystalline and optically transparent (>94\%), due to the large bandgap of ≥3.1 eV, with a valence band maximum located at −5.1 eV. Hole‐transport analysis performed using field‐effect measurements confirms the p‐type character of CuSeCN yielding a hole mobility of 0.002 cm2 V−1 s−1. When CuSeCN is incorporated as the HTL material in organic light‐emitting diodes and organic solar cells, the resulting devices exhibit comparable or improved performance to control devices based on commercially available poly(3,4‐ethylenedioxythiophene):polystyrene sulfonate as the HTL. This is the first report on the semiconducting character of CuSeCN and it highlights the tremendous potential for further developments in the area of metal pseudohalides.},
}