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Difluorophosphorane-Flattened Phosphorene through Difluorination
The Journal of Physical Chemistry Letters ( IF 5.7 ) Pub Date : 2018-11-27 00:00:00 , DOI: 10.1021/acs.jpclett.8b02918
Dmitriy Steglenko 1 , Ruslan M. Minyaev 1 , Vladimir I. Minkin 1 , Alexander I. Boldyrev 1, 2
Affiliation  

We computationally showed that by difluorination of phosphorene we can make a new material difluorphosphorane (DFP) with perfectly planar honeycomb structure out of phosphorus atoms with fluorine atoms attached to every phosphorus atom from above and below. The structure is dynamically stable. It is a semiconductor with a direct band gap of 4.51 eV and an indirect band gap of 3.88 eV. We hope that with the passivation this new DFP material if made could find many applications in nanoelectronics.

中文翻译:

通过二氟化二氟膦烷化的磷

我们通过计算表明,通过磷的二氟化,我们可以从磷原子中制造一个具有完美平面蜂窝结构的新材料二氟磷烷(DFP),并且氟原子从上方和下方与每个磷原子相连。结构是动态稳定的。它是具有4.51 eV的直接带隙和3.88 eV的间接带隙的半导体。我们希望通过钝化处理这种新的DFP材料可以在纳米电子学中找到许多应用。
更新日期:2018-11-27
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