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Insights into the Role of C-S-C Bond in C3N5 for Photocatalytic NO Deep Oxidation: Experimental and DFT Exploration
Applied Catalysis B: Environment and Energy ( IF 20.2 ) Pub Date : 2023-02-24 , DOI: 10.1016/j.apcatb.2023.122522
Junlei Zhang , Zhi Li , Bin Liu , Mengshan Chen , Yingtang Zhou , Mingshan Zhu

Non-stoichiometric polymer carbon nitride of C3N5 is becoming an important visible-light-type catalyst due to the narrow bandgap, non-toxicity, and thermal stability. Here, we report a sulfur doping strategy for upgrading the photogenerated carriers’ dynamics of C3N5. Studies on the transient diffuse reflectance spectra prove that the lifetime of photogenerated carriers of sulfur-doped C3N5 (S-C3N5) increases 61.6%. The widened visible-light responsive range and enhanced structural defects are also confirmed by UV-vis DRS and ESR characterizations. DFT calculations also verify the better NO adsorption and activation as well as give an insight into the mechanism of NO conversion from the molecule level. Such unique properties endow S-C3N5 with a 4.9- and 5.1-fold increase in photocatalytic NO removal efficiency and rate respectively compared to C3N5. In-situ DRIFTS tests demonstrate the excellent NO deep-oxidation capability of S-C3N5. Ten-cycle NO removal experiments prove its reusability and durability.



中文翻译:

深入了解 C3N5 中 CSC 键在光催化 NO 深度氧化中的作用:实验和 DFT 探索

C 3 N 5非化学计量聚合物碳氮化物由于其带隙窄、无毒、热稳定性好,正成为一种重要的可见光型催化剂。在这里,我们报告了一种用于提升 C 3 N 5光生载流子动力学的硫掺杂策略。瞬态漫反射光谱研究证明,硫掺杂C 3 N 5 (SC 3 N 5) 增长 61.6%。UV-vis DRS 和 ESR 表征也证实了扩大的可见光响应范围和增强的结构缺陷。DFT 计算还验证了更好的 NO 吸附和活化,并从分子水平深入了解 NO 转化的机制。与 C 3 N 5相比,这种独特的性质使 SC 3 N 5的光催化 NO 去除效率和速率分别提高了 4.9 倍和 5.1 倍。原位DRIFTS 测试证明了 SC 3 N 5出色的 NO 深度氧化能力。十个周期的 NO 去除实验证明了它的可重复使用性和耐用性。

更新日期:2023-02-25
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