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		题名	作者	年代	出处	被引量
	1	Characterization of intrinsic hole transport in single-crystal spiro-OMeTAD显示文摘Spiro-OMeTAD remains a prominent hole-transport material in perovskite and solid-state dye-sensitized solar cells.However,an understanding of its intrinsic hole-transport properties is still limited.Here,hole transport in spiro-OMeTAD is systematically characterized on the basis of the recently reported X-ray single-crystal data.An approach combining density functional theory calculations,tight-binding modeling,and kinetic Monte Carlo simulations are exploited to describe the key parameters governing hole transport and to investigate the transport mechanism and hole mobilities in the spiro-OMeTAD single crystal.The results provide insight into:(i)why an anisotropic hole-transport mechanism,with an upper range of intrinsic hole mobilities on the order of~10^(−3)cm^(2)/Vs,can be expected in the single crystal;and(ii)how detrimental factors,related to the presence of the spiro motif and of the 4,4′-dimethoxydiphenylamine substituents,limit the intrinsic hole mobilities of the system.	Yuan Li Haoyuan Li Cheng Zhong Gjergji Sini Jean-Luc Brédas	2017	npj Flexible Electronics2017，1，1：	1

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