掺杂剂
材料科学
金红石
兴奋剂
光电子学
晶场理论
离子
化学工程
化学
工程类
有机化学
作者
Michitaka Fukumoto,Yasushi Hirose,Benjamin A. D. Williamson,Shoichiro Nakao,Koji Kimura,Kôichi Hayashi,Yuka Sugisawa,Daiichiro Sekiba,David O. Scanlon,Tetsuya Hasegawa
标识
DOI:10.1002/adfm.202110832
摘要
Abstract Transparent conductive oxides (TCOs) exhibiting high near‐infrared (NIR) transmittance are one of the key materials for highly efficient thin‐film solar cells with widened spectral sensitivity. To realize excellent NIR transparency in a TCO film, developing a dopant providing high mobility ( µ ) carriers is quite important. Herein, it is demonstrated that W is a high‐μ dopant in rutile SnO 2 , which is unexpected from the conventional strategy. A combination of electrical transport property measurements and hybrid density functional theory calculations reveals that W behaves as a singly charged donor (W 5+ ) showing minimized ionized impurity scattering. This charge state is realized by the splitting of the W 5 d t 2g ‐states originating not only from the octahedral crystal field but also hybridization with the O 2 p orbitals, whose contribution has not been considered in transition metal‐doped TCOs. Hybridization between metal d orbital and O 2 p orbitals would provide a new guide for designing a novel dopant of NIR transparent conductors.
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