| 摘要: |
| 基于非均相催化剂的发展现状以及绿色化学的需求,以多孔氮掺杂石墨二炔（PQ-GDY,“自下而上”法合成）碳材料为载体,经钯负载成功制备了具有高硝基还原催化活性的非均相催化剂（Pd@PQ-GDY）. 通过场发射扫描电子显微镜（FE-SEM）、X射线光电子能谱（XPS）、密度泛函理论（DFT）对该复合材料进行了综合表征及理论计算. 结果表明：Pd@PQ-GDY实现了PQ-GDY对Pd（0）的高效负载,催化活性显著提高,是原位生成且未负载PQ-GDY的Pd（0）催化活性的23倍；其催化的10种硝基芳烃的还原转化率均高于96.5%,且展现了出良好的官能团兼容性. |
| 关键词: 氮掺杂石墨二炔（PQ-GDY） 钯（Pd）催化反应 硝基芳烃还原 密度泛函理论（DFT）计算 |
| DOI：10.3969/J.ISSN.1000-5137.2024.01.001 |
| 分类号:O 625.61 |
| 基金项目:上海市自然科学基金（22ZR1445900）； 国家自然科学基金面上项目（21772123）； 上海绿色能源化工工程技术研究中心项目（18DZ2254200）； 光化学能源材料学科创新引智基地项目（D18020）； 上海市部分地方院校能力建设专项（21010503400） |
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| Heterogeneous reduction of nitroaromatic hydrocarbons catalyzed by N-doped graphdiyne materials supported Palladium |
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LYU Rundong, QI Haiyan, GAO Lei, LIU Taifeng, ZHOU Qinghai, XIAO Shengxiong
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College of Chemistry and Materials Science, Shanghai Normal University, Shanghai 200234, China
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| Abstract: |
| Based on the status quo of heterogeneous catalysts and the demand for green chemistry, porous nitrogen doped graphdiyne（PQ-GDY, synthesized by a “bottom-up” method） carbon material was used as the carrier to successfully prepare heterogeneous catalysts（Pd@PQ-GDY） with high nitro reduction catalytic activity through palladium（Pd） loading. The composite material was comprehensively characterized and theoretically calculated through field emission scanning electron microscopy（FE-SEM）, X-ray photoelectron spectroscopy（XPS）, and density functional theory（DFT）. The results showed that the catalyst achieved efficient loading of Pd（0） on PQ-GDY and its catalytic activity was significantly improved, which is 23 times higher than that of Pd（0） generated in situ without loading PQ-GDY. The reduction conversion rates of 10 nitroaromatic hydrocarbons catalyzed by Pd@PQ-GDY are all higher than 96.5%. Pd@PQ-GDY exhibits good functional group compatibility. |
| Key words: N-doped graphdiyne（PQ-GDY） palladium（Pd） catalysis reaction reduction of nitroaromatic hydrocarbons density functional theory（DFT） calculation |
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