Co-operative Influence of O2 and H2O in the Degradation of Layered Black Arsenic

• DOI: 10.48550/arxiv.2207.02416
• Publication Date: 2022-01-01
• Authors: Mayank Tanwar; Sagar Udyavara; Hwanhui Yun; Supriya Ghosh; K. Andre Mkhoyan; Matthew Neurock
• Keywords: Degradation; Reactivity

Layered black arsenic (b-As) has recently emerged as a new anisotropic two-dimensional (2D) semiconducting material with applications in electronic devices. Understanding factors affecting the ambient stability of this remains crucial for its applications. Herein we use first-principles density functional theory (DFT) calculations to examine (010) and (101) surfaces b-As presence oxygen (O2) water (H2O). We show that surface can easily oxidize O2. In moisture contained air, oxidized favorably react H2O molecules volatilize As form As(OH)3 AsO(OH), which results degradation surface, predominantly across surface. These predictions are good agreement experimental electron microscopy observations, thus demonstrating co-operative reactivity O2 layered under conditions.