A "waste-to-waste" strategy was adopted by pyrolyzing waste sugarcane bagasse to synthesize biomass-derived carbon (AC) and utilizing diatomite (DTE) as a substrate to construct a high-performance three-dimensional carbon-silica-based bismuth oxychloride (AC-DTE@BiOCl) photocatalyst. The three-dimensional structure effectively prevents the agglomeration of BiOCl while providing additional active sites. Experimental results demonstrate that AC-DTE@BiOCl efficiently degrades 96.2 % of tetracycline hydrochloride (TCH) within 90 min, exhibiting excellent photocatalytic performance. Infrared spectroscopy analysis reveals that the symmetric stretching vibration peak of Si-O (804 cm^-1) weakens and slightly broadens, while no characteristic peaks of TCH are detected, indicating its complete degradation. Density functional theory (DFT) calculations indicate that the carbonyl site in the TCH molecule exhibits the highest negative electrostatic potential, and O2, O4, O7, N1, O6, and O3 atoms are identified as the primary active sites for radical attack. Furthermore, the photocatalytic degradation of TCH mainly proceeds through hydroxylation, deamination, and ring-opening pathways. These findings provide valuable insights into the rational design and development of high-efficiency and stable photocatalytic materials for environmental remediation applications.

Keywords: BiOCl; Biochar-Silica; DFT; Photocatalysis; Three-dimensional.

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采用“废物到废物”的策略，通过热解废甘蔗渣合成了生物质衍生碳（AC），并利用硅藻土（DTE）作为基材构建了一种高性能的三维碳-二氧化硅基铋氧化氯（AC-DTE@BiOCl）光催化剂。这种三维结构有效防止了BiOCl的团聚，同时提供了额外的活性位点。实验结果表明，AC-DTE@BiOCl在90分钟内可高效降解96.2%的四环素盐酸盐（TCH），表现出优异的光催化性能。红外光谱分析显示，Si-O对称伸缩振动峰（804 cm^-1）减弱并略微变宽，同时未检测到TCH的特征峰，表明其完全降解。密度泛函理论（DFT）计算表明，TCH分子中的羰基位点表现出最高的负静电势，并确定O2、O4、O7、N1、O6和O3原子为主要活性位点，用于自由基攻击。此外，TCH的光催化降解主要通过羟化、脱胺和开环途径进行。这些发现为高效稳定的环境修复用光催化剂的设计与开发提供了有价值的见解。

关键词： BiOCl；生物炭-二氧化硅；DFT；光催化；三维结构。

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