In order to explore efficient photocatalysts for N 2 reduction reaction (NRR), 0D AgInS 2 nanoparticles and 2D MXene (Ti 3 C 2 ) 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% AgInS 2 ) shows significant improvement on the photocatalytic performance for N 2 fixation with a high ammonia yield rate of 38.8 μmol/(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 Ti 3 C 2 and N 2 . This work provides new systems for enhanced NRR performance.
- AgInS /MXene heterojunction
- DFT calculations
- N reduction
ASJC Scopus subject areas
- Renewable Energy, Sustainability and the Environment
- Materials Science(all)
- Electrical and Electronic Engineering