磷烯
异质结
材料科学
磷化铟
分解水
带隙
光电子学
磷化镓
半导体
光催化
硼
磷化物
吸收(声学)
光催化分解水
砷化镓
化学
复合材料
催化作用
有机化学
冶金
镍
生物化学
作者
Ismail Shahid,Saeed Ahmad,Nasir Shehzad,Sai Yao,Chương V. Nguyen,Lixin Zhang,Zhen Zhou
标识
DOI:10.1016/j.apsusc.2020.146483
摘要
Hydrogen generation via photocatalytic water splitting is considered as a source of clean energy and an alternative approach to deal with energy crises and environmental problems. By using first-principles computations, we determine that boron phosphide-blue phosphorene van der Waals heterostructure is a potential candidate for overall water splitting at low pH values (0–3). The heterostructure is a semiconductor with a direct band gap of 1.47 eV and possesses type-II band alignment. More importantly, this heterostructure contents the water reduction and oxidation levels for water splitting, with enhanced optical absorption in infrared, visible and ultraviolet regions. Particularly, tensile strain can enhance the optical absorption in the visible range and increase the solar energy conversion efficiency. Our study widens the application of boron phosphide-blue phosphorene heterostructures, and helps design more heterostructured photocatalysts.
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