地下金属促进催化剂的性能描述器用于低温氧化脱到
Xiaofeng Gao1,2,3, Cheng Cai4, Shuheng Tian3
1Key Laboratory of Biomass Chemical Engineering of Ministry of Education, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China.
Journal of the American Chemical Society
|November 21, 2024
概括
地下金属促进剂显著增强氧化物催化剂的脱. 金属-氧结合能作为描述剂,指导Ni-Rh合金的开发,以获得更高的催化活性.
科学领域:
- 催化剂
- 材料科学
- 化学工程
背景情况:
- 在氧化脱 (ODHP) 中,基催化剂对素有选择性.
- 像这样的地下金属促进剂可以显著调节催化剂的性能.
研究的目的:
- 调查氧化物 (BOx) /金属/BN催化剂对ODHP的基板的影响.
- 在基于BOx的ODHP催化剂中确定地下材料的性能描述符.
主要方法:
- 在BOx/金属/BN催化剂中对不同金属促进剂的评估.
- 性能测试和短暂的红外光谱.
- 密度函数理论 (DFT) 的计算.
主要成果:
- 催化剂的活性和动力学取决于金属基质.
- 金属与氧的结合能量与的亲和力相关,并作为描述器.
- 具有15:1比率的Ni-Rh合金基板显著提高了低温活性.
结论:
- 萨巴蒂尔原理控制了ODHP反应,需要适度的金属-氧结合能量.
- 基于金属-氧结合能量的描述器可以指导高活性BOx/M/BN催化剂的设计.
- 优化的Ni-Rh合金基板比单金属催化剂和h-BN提供了实质性的改进.
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