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Fluorination‐Enhanced Ambient Stability and Electronic Tolerance of Black Phosphorus Quantum Dots
Advanced Science ( IF 15.1 ) Pub Date : 2018-06-13 , DOI: 10.1002/advs.201800420
Xian Tang 1, 2 , Hong Chen 2 , Joice Sophia Ponraj 3 , Sathish Chander Dhanabalan 1 , Quanlan Xiao 1 , Dianyuan Fan 1 , Han Zhang 1
Affiliation  

The environmental instability and uneliminable electronic trap states in black phosphorus quantum dots (BPQDs) limit the optoelectronics and related applications of BPQDs. Here, fluorinated BPQDs (F‐BPQDs) are successfully synthesized by using a facile electrochemical exfoliation and synchronous fluorination method. The F‐BPQDs exhibit robust ambient stability and limited fluorination capability, showing a nonstoichiometric fluorination degree (DF) maximum of ≈0.68. Density functional theory calculations confirm that due to the edge etching effect of fluorine adatoms, the simulated F‐BPQDs become structurally unstable when DF surpasses the limit. Furthermore, the trap states of BPQDs can be effectively eliminated via fluorination to obtain a coordination number of 3 or 5 for fluorinated and unfluorinated phosphorus atoms. The results reveal that the air‐stable F‐BPQDs exhibit fluorine defect‐enhanced electronic tolerance, which is crucial for nanophotonics and nanoelectronics applications.

中文翻译:

氟化增强黑磷量子点的环境稳定性和电子耐受性

黑磷量子点(BPQD)中的环境不稳定性和不可消除的电子陷阱态限制了BPQD的光电子学和相关应用。在这里,通过使用简便的电化学剥离和同步氟化方法成功合成了氟化BPQD(F-BPQD)。F-BPQD 表现出强大的环境稳定性和有限的氟化能力,非化学计量氟化度 ( D F ) 最大值约为 0.68。密度泛函理论计算证实,由于氟吸附原子的边缘蚀刻效应,当D F超过极限时,模拟的 F-BPQD 会变得结构不稳定。此外,BPQDs的陷阱态可以通过氟化有效消除,以获得氟化和未氟化磷原子的配位数为3或5。结果表明,空气稳定的 F-BPQD 表现出氟缺陷增强的电子耐受性,这对于纳米光子学和纳米电子学应用至关重要。
更新日期:2018-06-13
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