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Research Activities
 
发布作者:  发布时间:2017-04-01 已读:
 
 
  
1. Computational study on MOFs
We use a combination of ab initio, MC and MD methods to study the adsorption, diffusion and separation of gases and liquids in MOFs, particularly on hydrogen storage, carbon dioxide capture, and separation of practical gas and liquid mixtures.

2. Design and synthesize new MOFs
In addition to studying the already-synthesized MOFs, we are designing hypothetical MOFs for improved CO2 capture and separation capability, as well as for new drug delivery systems, by fabrication of organic linkers, doping of metals, and using bio-compatible molecules as linkers, etc. Also, we are trying to establish a hypothetical MOFs' databank. In the meantime, we also experimentally synthesize the designed MOFs with excellent properties, as well as to prepare MOF membranes.

3. Computational study on polymer nanocomposites
We are using multi-scale modeling approaches to reveal the structure-property relationships of polymer nanocomposites, in close cooperation to the experimental groups. We focus on understanding the phenomena related to dispersivity, surface properties, and mechanical properties at the molecular level.
 
 
 
 
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