Modulation of Phosphorene for Optimal Hydrogen Evolution Reaction

• DOI: 10.1021/acsami.9b13666
• Publication Date: 2019-09-25T14:20:21Z
• Authors: Jiang Lu; Xue Zhang; Danni Liu; Na Yang; Hao Huang; Shaowei Jin; Jiahong Wang; Paul K. Chu; Xue-Feng Yu
• Keywords: Phosphorene; Black Phosphorus; Moiety

Economical and highly effective catalysts are crucial to the electrocatalytic hydrogen evolution reaction (HER), few-layer black phosphorus (phosphorene) is a promising candidate because of high carrier mobility, large specific surface area, tunable physicochemical characteristics. However, HER activity phosphorene limited by weak adsorption ability on basal plane. In this work, optimal active sites created modulate electronic structure improve effectiveness investigated theoretically density-functional theory calculation verified experimentally. The edges defects affect density states, linear relationship between lowest unoccupied states (εLUS) discovered. medium εLUS value corresponds suitable strength. Experiments designed performed verify prediction, our results show that smaller moiety with more exhibits better doping metal adatoms improves catalytic performance. suggest modified has potential in efficient provides convenient standard explore ideal electrocatalysts.