摘要
纳米孔材料作为重要的催化、吸附和离子交换材料,广泛应用于节能的催化过程、环境友好的吸附、废物及能量的存储等与能源和环境密切相关的重要领域。我们一直致力于功能导向分子筛纳米孔晶体材料的定向设计与构筑研究。我们创建了预测特定孔道结构及筛选特定性能的新分子筛的理论方法;基于模板诱导及杂原子取代等途径成功合成出系列具有超大孔道、手性孔道及特殊性能的新型分子筛材料;基于分子筛晶化机理的研究,开发出节能、绿色的合成新路线;利用分子筛纳米孔材料的纳米空间、活性位点、功能基元,以及对功能客体的组装等特性,研究了其高效催化转化、液体分离以及固态发光等方面的应用。
Zeolitic materials with nanoporous architectures are involved in various processes of current interest,such as energy saving catalytic processes,environmentally benign sorbents,storage materials for waste and energy,etc.In recent decade,we have been devoting our efforts to the computational design,rational synthesis and application of zeolitic nanoporous materials.In this presentation,I will present in-silico predicting,evaluating,and identifying zeolitic materials with desirable porous architectures and properties.Toward the targeted synthesis,we have developed three main strategies on the basis of pre-designed organic structure-directing agent,the heteroatom substitution and computational data mining.By utilization of these synthetic strategies,novel zeolitic materials with desired porous structures and excellent properties have been successfully synthesized.Furthermore,we have discovered that the zeolite synthesis mechanism can be promoted through free radicals,which sheds a new light on zeolite crystallization,and opens new perspectives for the synthesis of zeolite materials that are largely demanded in chemical industry.Taking advantage of their confined nanospace and hydrophilic surface property,we have also explored some new applications of zeolitic nanoporous materials in H2 production,liquid separation and light emitting that are beyond their traditional applications.
引文
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