在逆水气转换反应中的Ni/In2O3/ZrO2催化剂的动态重建
Tingting Wang1, Chan Wu1, Hui Yue1
1School of Chemistry and Chemical Engineering, Southeast University, Nanjing, Jiangsu, 211189, China.
ChemSusChem
|July 25, 2025
概括
氧化 (In2O3) 是二氧化碳转化的主要活性站点, (Ni) 通过形成NiInOx复合物来提高性能. 这种三元催化剂在逆水气转移反应中显示出更好的CO产量.
科学领域:
- 催化剂是一种催化剂.
- 材料科学 材料科学 材料科学
- 表面化学 表面化学
背景情况:
- 催化剂重新配置会影响性能,但反应机制往往不清楚.
- 了解现场催化剂演变对于优化催化过程至关重要.
研究的目的:
- 研究三元Ni/In2O3/ZrO2催化剂的现场结构演变和反应机制.
- 阐明氧化物和在逆水气转移反应中的作用.
主要方法:
- 两步催化剂制备方法.
- 在现场反应大气研究 (CO2/H2).
- Ab initio分子动力学和密度函数理论计算.
主要成果:
- 在现场,In2O3在ZrO2上分散,部分减少,并迁移形成NiInOx复杂结构.
- 氧化作为主要活性部位,而Ni增强金属支相互作用和中间体形成.
- 计算证实了在ZrO2上的In2O3动态重建和在In2O3.3上的优先CO2吸附.
结论:
- Ni/In2O3/ZrO2催化剂由于Ni和In2O3.3之间的协同效应,表现出增强的CO产量.
- 现场结构动力学和电子相互作用是催化剂在二氧化碳转化中的卓越性能的关键.
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