Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs2AgInCl6 : научное издание | Научно-инновационный портал СФУ

Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs2AgInCl6 : научное издание

Тип публикации: статья из журнала

Год издания: 2017

Идентификатор DOI: 10.1039/c7ta04690a

Аннотация: The discovery of lead-free double perovskites provides a feasible way of searching for air-stable and environmentally benign solar cell absorbers. Herein we report the design and hydrothermal crystal growth of double perovskite Cs2AgInCl6. The crystal structure, morphology related to the crystal growth habit, band structure, optical properties, and stability are investigated in detail. This perovskite crystallized in a cubic unit cell with the space group Fm3m and is composed of [AgCl6] and [InCl6] octahedra alternating in a ordered rock-salt structure, and the as-obtained crystal size is dependent on the hydrothermal reaction time. Cs2AgInCl6 is a direct gap semiconductor with a wide band gap of 3.23 eV obtained experimentally and 3.33 eV obtained by DFT calculation. This theoretically predicted and experimentally confirmed optical gap is a prototype of the band gaps that are direct and optically allowed except at the single high-symmetry k-point, which didn't raise interest before but have potential applications in future technologies. Cs2AgInCl6 material with excellent moisture, light and heat stability shows great potential for photovoltaic and other optoelectronic applications via further band gap engineering. © 2017 The Royal Society of Chemistry.

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Издание

Журнал: Journal of Materials Chemistry A

Выпуск журнала: Vol. 5, Is. 29

Номера страниц: 15031-15037

ISSN журнала: 20507488

Издатель: Royal Society of Chemistry

Авторы

  • Zhou J. (Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China)
  • Xia Z. (Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China)
  • Molokeev M.S. (Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation, Siberian Federal University, Krasnoyarsk, Russian Federation, Department of Physics, Far Eastern State Trans)
  • Zhang X. (Shenzhen Key Laboratory of Micro-Nano Photonic Information Technology, College of Electronic Science and Technology, Shenzhen University, Guangdong, China)
  • Peng D. (College of Optoelectronic Engineering, Shenzhen University, Guangdong, China)
  • Liu Q. (Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China)

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