Direct styrene hydrogenation on a metal-free boron–nitrogen doped carbon catalyst†

IF 6 2区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Neeraj Gupta, Abhishek Soni, Sahil Kumar, Mamta Shandilya, Elisabetta Inico, Ilaria Barlocco, Giovanni Di Liberto and Alberto Villa
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Abstract

We present a study of direct styrene hydrogenation to ethylbenzene by a metal-free catalyst. The catalyst is a nanohybrid made up of ultra-dispersed diamond (UDD) and graphitic sheets. The method to prepare the catalyst introduces the key active site (bearing B and N atoms) into the sp2 rich layer over the surface of UDD. The results show excellent catalytic activity for the direct hydrogenation of styrene to ethylbenzene in the presence of isopropyl alcohol, where hydrogen comes directly from the oxidation of the alcohol to acetone. The combination of experimental characterization and quantum chemical simulation indicates that a key role is played by direct BN bonds and pyrrolic-N is the most probable active site in the reaction.

无金属硼氮掺杂碳催化剂上苯乙烯的直接加氢
本文介绍了用无金属催化剂直接加氢苯乙烯制乙苯的研究。催化剂是由超分散金刚石(UDD)和石墨片组成的纳米杂化物。该方法将关键活性位点(含B和N原子)引入到UDD表面的富sp2层中。结果表明,在异丙醇存在下,苯乙烯直接加氢制乙苯具有良好的催化活性,其中氢直接来自醇氧化成丙酮。实验表征和量子化学模拟相结合表明,直接BN键起关键作用,pyrolic - n是反应中最可能的活性位点。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Materials Chemistry Frontiers
Materials Chemistry Frontiers Materials Science-Materials Chemistry
CiteScore
12.00
自引率
2.90%
发文量
313
期刊介绍: Materials Chemistry Frontiers focuses on the synthesis and chemistry of exciting new materials, and the development of improved fabrication techniques. Characterisation and fundamental studies that are of broad appeal are also welcome. This is the ideal home for studies of a significant nature that further the development of organic, inorganic, composite and nano-materials.
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