Density functional theory study on the enhanced adsorption mechanism of VOCs by Cu4 cluster decorated UiO-66,Surfaces and Interfaces

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Density functional theory study on the enhanced adsorption mechanism of VOCs by Cu4 cluster decorated UiO-66
Surfaces and Interfaces ( IF 6.2 ) Pub Date : 2024-03-14 , DOI: 10.1016/j.surfin.2024.104199
Guoqing Zhu , Junhui Zhou , Didi Li , Zhimin Ao

A non-precious metal cluster Cu can improve the adsorption energy of UiO-66 very well, as a bridge connecting UiO-66 and VOCs molecules. It has a strong selective effect on carbon-carbon double bond VOCs, and the adsorption effect is pronounced.

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