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论文类型：期刊论文

发表时间：2019-07-01

发表刊物：NANO ENERGY

收录刊物：SCIE、EI

卷号：61

期号：61

页面范围：27-35

ISSN号：2211-2855

关键字：AgInS2/MXene heterojunction; Photocatalysis; N-2 reduction; DFT calculations

摘要：In order to explore efficient photocatalysts for N-2 reduction reaction (NRR), 0D AgInS2 nanoparticles and 2D MXene (Ti3C2) nanosheets with different mass ratios are employed for building Z-scheme heterostructures. The resultant hybrids exhibit excellent interfacial charge transfer ability according to their optical and photo-electro properties. As a result, the obtained composite (30 wt% AgInS2) shows significant improvement on the photocatalytic performance for N-2 fixation with a high ammonia yield rate of 38.8 mu mol/(g.h) under visible-light illumination (> 400 nm). Meanwhile, the DFT calculations show that the activation of N-2 in a dinuclear end-on bound structure could lead to high adsorption energy (E-ad = -5.20 eV). Moreover, the mechanism of enhanced photocatalytic activity was proposed in terms of the quantum calculation between Ti3C2 and N-2. This work provides new systems for enhanced NRR performance.