The role of hydrogen bonding on transport of co-adsorbed gases in metal organic frameworks materials,Journal of the American Chemical Society

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The role of hydrogen bonding on transport of co-adsorbed gases in metal organic frameworks materials
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2018-01-08 , DOI: 10.1021/jacs.7b09943
Kui Tan ₁ , Stephanie Jensen _{2,

3} , Sebastian Zuluaga _{2,

3} , Eric K. Chapman _{2,

3} , Hao Wang ₄ , Rezwanur Rahman ₁ , Jérémy Cure ₁ , Tae-Hyeon Kim ₁ , Jing Li ₄ , Timo Thonhauser _{2,

3} , Yves J. Chabal ₁

Affiliation

Coadsorption of multicomponents in metal-organic framework (MOF) materials can lead to a number of cooperative effects, such as modification of adsorption sites or during transport. In this work, we explore the incorporation of NH3 and H2O into MOFs preloaded with small molecules such as CO, CO2, and SO2. We find that NH3 (or H2O) first displaces a certain amount of preadsorbed molecules in the outer portion of MOF crystallites, and then substantially hinders diffusion. Combining in situ spectroscopy with first-principles calculations, we show that hydrogen bonding between NH3 (or H2O) is responsible for an increase of a factor of 7 and 8 in diffusion barrier of CO and CO2 through the MOF channels. Understanding such cooperative effects is important for designing new strategies to enhance adsorption in nanoporous materials.

更新日期：2018-01-08

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