This study delves into improving the photo-piezocatalytic efficiency of molybdenum disulfide (MoS2), a two-dimensional piezoelectric material recognized for its high catalytic potential. We focus on optimizing MoS2′s catalytic capabilities through the incorporation of cobalt (Co) in three unique forms: surface regulation (Co-loaded MoS2: Co/MoS2), interface regulation (CoS2/MoS2 heterostructures), and structural regulation (Co-doped MoS2: Co-MoS2). These modifications are instrumental in enhancing the material’s redox activity, resilience to piezoelectric stress, and charge carrier efficiency, critical factors for catalytic performance. The catalytic properties of each Co-modified MoS2 variant were rigorously evaluated through antibiotic degradation tests, with experiments conducted under varying environmental conditions to simulate real-world applications. Notably, Co/MoS2 demonstrated relatively excellent catalytic activity, achieving nearly complete degradation of tetracycline when subjected to photo-piezoelectric synergistic conditions. Supporting this, density functional theory (DFT) calculations revealed that Co loading amplifies the piezoelectric properties of MoS2 by increasing its dipole moment under tensile strain, further enhancing its catalytic effectiveness. This study presents an innovative strategy for elevating the catalytic performance of 2D photo-piezoelectric catalysts, with implications for their future use in environmental remediation and sustainable energy solutions.

中文翻译：

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二维 MoS2 光压催化性能优化策略


本研究深入探讨了提高二硫化钼 （MoS2） 的光压电催化效率，MoS2 是一种以其高催化潜力而闻名的二维压电材料。我们专注于通过以三种独特形式掺入钴 （Co） 来优化 MoS2 的催化能力：表面调节（共负载 MoS2：Co/MoS2）、界面调节（CoS2/MoS2 异质结构）和结构调节（共掺杂 MoS2：Co-MoS2）。这些修饰有助于增强材料的氧化还原活性、对压电应力的弹性和电荷载流子效率，这些都是催化性能的关键因素。通过抗生素降解测试严格评估每种共改性 MoS2 变体的催化性能，并在不同的环境条件下进行实验以模拟实际应用。值得注意的是，Co/MoS2 表现出相对优异的催化活性，在光压电协同条件下实现了四环素的几乎完全降解。密度泛函理论 （DFT） 计算表明，Co 负载通过增加 MoS2 在拉伸应变下的偶极矩来放大 MoS2 的压电性能，进一步增强其催化效果。本研究提出了一种提高 2D 光压电催化剂催化性能的创新策略，对其未来在环境修复和可持续能源解决方案中的应用具有重要意义。