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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。
表面官能团调控纳米碳材料催化剂催化性能的理论计算研究
【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。
【机 构】
：
中国科学院金属研究所沈阳材料科学国家(联合)实验室,辽宁省沈阳市,110016 中国科学院金属研究
【出 处】
：
第十三届全国量子化学会议
【发表日期】
：
2017年10期
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