Black phosphorene (BP) stands out from two-dimensional materials for its outstanding tunable band gap and high mobility. However, a BP flake quickly degrades under ambient condiction, which severely limits its practical application. Based on extensive multiscale simulations, we provide a three-step picture on the ambient degradation of BP: generation of superoxide under light, dissociation of the superoxide and eventual breakdown under the action of water [1]. The well-matched bandgap and band-edge positions for the redox potential accelerate the degradation of thinner BP. We further revealed water assisted oxidization of BP, which the polarization effect of water can significantly lower the energy levels of oxygen, thereby facilitating the electron transfer from BP to oxygen and trigger the BP oxidation even in dark environment [2]. On this basis, we further propose several simple and effective strategies to protect BP, such as 1) fully oxidized BP layer as a native protecting layer [1]; 2) Tellurium doping into BP matrix[3]; 3) on surface growth of organic molecules or metal coordination polymers on BP surface [4,5]; 4) covalent functionalization of BP using polymers, [6]; 5) engineering the interlayer interaction of BP by intercalating H2 molecules[7,8]. These studies pave new routes to efficiently prolong the use of BP in high-performance (opto)electronics and other fields.

Degradation mechanism and protection strategies of few-layer black phosphorus

256th National Meeting (2018)

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