Ni/Ce0.75Zr0.25O2界面催化CO2甲烷化的DFT研究

来源 :第十二届全国量子化学会议 | 被引量 : 0次 | 上传用户：p348892993

【摘要】

：

将温室气体CO2催化转化成CH4,不仅可以减轻环境污染问题又可以充分利用碳资源,具有一定的现实意义.近来,实验发现铈锆固熔体对CO2甲烷化过程具有很高的催化活性和稳定性[1].本文基于DFT+U 计算方法研究Ce0.75Zr0.25O2负载Ni体系催化CO2甲烷化机理,分析CO2甲烷化的合理路径.

【作者】

：

彭超陈建富王海丰胡培君

【机构】

：

华东理工大学计算化学中心,工业催化研究所,上海市梅陇路130号,200237 Queen's U

【出处】

：

第十二届全国量子化学会议

【发表日期】

：

2014年1期

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