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金属-有机骨架材料的计算化学研究 被引量：21

Computational study of metal-organic frameworks
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摘要 金属-有机骨架材料(metal-organic frameworks,MOFs)是一种新型纳米多孔材料,独特的结构特征使其在储气、分离、催化、生物化学及制药等领域具有广阔的潜在应用价值。本文综述了计算化学方法在探索MOF材料结构-性能关系方面的研究进展,并着重介绍了本研究室在此方面的研究成果。 Metal-organic frameworks （MOFs） are a new family of nanoporous materials that have shown potential applications in many areas, such as adsorption, separation, catalysis, biochemistry, and pharmacy, due to their unique structural characteristics. In this paper, the progress in applying the methods of computational chemistry to studying MOFs＇ structure-property relationships is reviewed, and particular attention is paid to the work carried out in the authors＇ laboratory.
作者 阳庆元 刘大欢 仲崇立
机构地区 北京化工大学化学工程学院计算化学研究室
出处 《化工学报》 EI CAS CSCD 北大核心 2009年第4期805-819,共15页 CIESC Journal
基金 国家杰出青年科学基金项目(20725622) 国家自然科学基金项目(20706002 20876006)~~
关键词 金属-有机骨架材料 计算化学 结构-性能关系 化工应用 metal-organic frameworks computational chemistry structure-property relationship chemical engineering application
分类号 TQ013 [化学工程]
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参考文献110

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共引文献13

同被引文献462

  • 1宿辉,崔琳.二氧化碳的吸收方法及机理研究[J].环境科学与管理,2006,31(8):79-81. 被引量：79
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引证文献21

二级引证文献112

化工学报
2009年 第4期

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