高效日光促进Ti/Mo复合材料常温常压空气固氮
Efficient sunlight promoted nitrogen fixation from air under room temperature and ambient pressure via Ti/Mo composites
摘要：
光催化固氮是碳中和和可持续发展的重要途径。受固氮酶的启发，钼的参与可以有效地活化氮。通过将乙酰丙酮钼前驱体与TiO $_{2}$烧结，设计了一种新型的Ti/Mo复合光催化剂。在常温常压下，碳包覆六方晶光催化剂的光催化固氮性能比纯TiO $_{2}$提高了16倍。该复合材料中丰富的表面缺陷被证实是固氮的关键因素。$^{15}$ N $_{2}$同位素标记实验用于证明氮转化为氨的可行性。此外，对光与合成的光催化剂颗粒之间的相互作用进行建模，以检查光吸收。研究了最佳固氮条件，其固氮性能可达432 $μ$ g $\cdot$ g $_{\text{cat}}^{-1}\cdot$ h $^{-1}$ .通过纯场表面积分方法进行了数值模拟，研究了光与光催化颗粒之间的相互作用，以进一步证实它可以作为光催化剂的有用材料。这种新开发的Ti/Mo复合材料提供了一种简单有效的策略，直接在环境条件下从空气中光催化固氮。
英文摘要：
Photocatalytic nitrogen fixation is an important pathway for carbon neutralization and sustainable development. Inspired by nitrogenase, the participation of molybdenum can effectively activate nitrogen. A novel Ti/Mo composites photocatalyst is designed by sintering the molybdenum acetylacetonate precursor with TiO$_{2}$. The special carbon-coated hexagonal photocatalyst is obtained which photocatalytic nitrogen fixation performance is enhanced 16 times compared to pure TiO$_{2}$ at room temperature and ambient pressure. The abundant surface defects in this composite were confirmed to be the key factor for nitrogen fixation. The $^{15}$N$_{2}$ isotope labeling experiment was used to demonstrate the feasibility of nitrogen to ammonia conversion. Also, modelling on the interactions between light and the synthesized photocatalyst particle was examined for the light absorption. The optimum nitrogen fixation conditions have been examined, and the nitrogen fixation performance can reach up to 432 $μ$g$\cdot$g$_{\text{cat}}^{-1}\cdot$h$^{-1}$. Numerical simulations via the field-only surface integral method were also carried out to study the interactions between light and the photocatalytic particles to further confirm that it can be a useful material for photocatalyst. This newly developed Ti/Mo composites provide a simple and effective strategy for photocatalytic nitrogen fixation from air directly under ambient conditions.
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