Tunable Photocatalytic Properties of GaN‐Based Two‐Dimensional Heterostructures. Issue 8 (30th May 2018)

• Record Type: Journal Article
• Authors: Wang, Guang‐Zhao; Dang, Sui‐Hu; Zhao, Wen‐Xi; Li, Ya‐Dong; Xiao, Shu‐Yuan; Zhong, Ming‐Min
• Is Part Of: Physica status solidi. Volume 255:Issue 8(2018)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2018-05-30
• Subjects: GaN/MoSe2 -- GaN/WS2 -- GaN/WSe2 -- hybrid density functional -- photocatalytic properties; Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201800133
• Languages: English
• ISSNs: 0370-1972

Abstract

Abstract : We have modulated the photocatalytic properties of GaN‐based two‐dimensional (2D) heterostructures including GaN/MoSe2 and GaN/WS2 (WSe2 ) by adjusting biaxial strain and the pH of electrolyte. The structural, energetic, and electronic properties of these GaN‐based heterostructures are investigated through hybrid density functional calculations so as to give the varied bandgaps and band edge positions. When the pH values are respectively within the scope of 7.2–7.9, 5.6–8 (9.2–10.6), and 11.2–12.4 (12.7–13), the suitable bandgaps and band edges make GaN/MoSe2, GaN/WS2, and GaN/WSe2 heterostructures sensitive to visible light and thermodynamically feasible for overall water redox processes. These results give a potential scheme for GaN‐based visible light photocatalysts. Abstract : When the pH values are respectively within the scope of 7.2–7.9, 5.6–8 (9.2–10.6), and 11.2–12.4 (12.7–13), the suitable bandgaps and band edges make GaN/MoSe2, GaN/WS2, and GaN/WSe2 heterostructures sensitive to visible light and thermodynamically feasible for overall water redox processes. These results give a potential scheme for GaN‐based visible light photocatalysts.