光催化
纳米线
材料科学
吸附
兴奋剂
密度泛函理论
锚固
量子点
化学物理
纳米技术
催化作用
光电子学
化学
物理化学
计算化学
生物化学
结构工程
工程类
作者
Guojun Dong,Xiaojuan Huang,Yingpu Bi
标识
DOI:10.1002/anie.202204271
摘要
Herein, we demonstrate that the surface anchoring of black phosphorus quantum dots (BPQDs) and bulk iron-doping in W18 O49 nanowires significantly promotes the photocatalytic activity toward N2 fixation into NH3 . More specifically, a NH3 production rate of up to 187.6 μmol g-1 h-1 could be achieved, nearly one order of magnitude higher than that of pristine W18 O49 (18.9 μmol g-1 h-1 ). Comprehensive experiments and density-functional theory calculations reveal that Fe-doping could enhance the reducing ability of photo-generated electrons by decreasing the work function and elevating the defect band (d-band) centers. Additionally, the surface BPQDs anchoring could facilitate the N2 adsorption/activation owing to the increased adsorption energy and advantaged W-P dimer bonding-mode. Therefore, synergizing the surface BPQD anchoring and bulk Fe-doping remarkably enhanced the photocatalytic activity of W18 O49 nanowires for NH3 production.
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