Premium
Light‐Induced Ambient Degradation of Few‐Layer Black Phosphorus: Mechanism and Protection
Author(s) -
Zhou Qionghua,
Chen Qian,
Tong Yilong,
Wang Jinlan
Publication year - 2016
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201605168
Subject(s) - degradation (telecommunications) , black phosphorus , dissociation (chemistry) , chemistry , layer (electronics) , ab initio , redox , chemical physics , chemical engineering , photochemistry , materials science , inorganic chemistry , optoelectronics , organic chemistry , computer science , telecommunications , engineering
The environmental instability of single‐ or few‐layer black phosphorus (BP) has become a major hurdle for BP‐based devices. The degradation mechanism remains unclear and finding ways to protect BP from degradation is still highly challenging. Based on ab initio electronic structure calculations and molecular dynamics simulations, a three‐step picture on the ambient degradation of BP is provided: generation of superoxide under light, dissociation of the superoxide, and eventual breakdown under the action of water. The well‐matched band gap and band‐edge positions for the redox potential accelerates the degradation of thinner BP. Furthermore, it was found that the formation of P‐O‐P bonds can greatly stabilize the BP framework. A possible protection strategy using a fully oxidized BP layer as the native capping is thus proposed. Such a fully oxidization layer can resist corrosion from water and leave the BP underneath intact with simultaneous high hole mobility.