School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, China.
Laboratory for Space Environment and Physical Sciences, Harbin Institute of Technology, Harbin 150001, China.
J Colloid Interface Sci. 2022 Oct 15;624:296-306. doi: 10.1016/j.jcis.2022.05.088. Epub 2022 May 17.
Undoubtedly, taking full advantage of near-infrared light (NIR) for the photocatalytic reaction is a promising way to realize the efficient utilization of solar energy. In this work, zirconium carbide (ZrC) has been exploited as a NIR-driven photoactive substance for the simultaneous photodegradation of organic pollutants and photothermal sterilization of Escherichia coli (E. coli). The metallic nature and NIR-responsive localized surface plasmon resonance (LSPR) behaviors of ZrC are revealed by both experimental evidence and density function theory (DFT) calculations. ZrC exhibits extremely wide spectral absorbance, excellent NIR-triggered photosensitive effect and photothermal conversion efficiency. Activation kinetics was performed with DFT to investigate the activation process of O to •O. In addition, a possible NIR-mediated photocatalytic mechanism of ZrC was proposed on the basis of above DFT simulation and radical scavenging experiments. Metallic ZrC with NIR-responsive activity provides a new perspective for designing full-spectrum-driven photocatalysts.
毫无疑问,充分利用近红外光(NIR)进行光催化反应是实现太阳能有效利用的一种很有前途的方法。在这项工作中,碳化锆(ZrC)被开发为 NIR 驱动的光活性物质,用于同时光降解有机污染物和光热杀菌大肠杆菌(E. coli)。ZrC 的金属性质和 NIR 响应的局域表面等离子体共振(LSPR)行为通过实验证据和密度泛函理论(DFT)计算得到揭示。ZrC 表现出极宽的光谱吸收、优异的 NIR 触发光敏效应和光热转换效率。通过 DFT 进行了动力学研究,以研究 O 到 •O 的激活过程。此外,基于上述 DFT 模拟和自由基清除实验,提出了 ZrC 的一种可能的 NIR 介导的光催化机制。具有 NIR 响应活性的金属 ZrC 为设计全光谱驱动的光催化剂提供了新的视角。