表面官能团调控纳米碳材料催化剂催化性能的理论研究

来源 :第十五届全国青年催化学术会议 | 被引量 : 0次 | 上传用户：babydir

【摘要】

：

纳米结构碳材料例如石墨烯,碳纳米管,纳米金刚石等作为一类新型的催化剂材料已经应用在各种不同的化学反应中,并且展现出了可以替代传统金属催化剂材料的前景.通过理论化学计算研究了纳米碳材料上氧和氮官能团在调控催化剂性质中的重要作用.利用局域Fukui函数计算,考察在碳材料上各种氧官能团的得失电子能力 1.

【作者】

：

李波苏党生

【机构】

：

中国科学院金属研究所催化材料研究部,辽宁省沈阳市文化路 72 号,110016

【出处】

：

第十五届全国青年催化学术会议

【发表日期】

：

2015年7期

【关键词】

：

杂化 FukuiFunction Lewis酸碱性纳米碳催化剂

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表面官能团调控纳米碳材料催化剂催化性能的理论研究

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