Metal-Organic frameworks with two different metal centers for thiophene adsorption: Synthesis, characterization and mechanism analysis

Metal-Organic frameworks with two different metal centers for thiophene adsorption: Synthesis, characterization and mechanism analysis

Surface Science

10.1016/j.susc.2023.122386

https://doi.org/10.1016/j.susc.2023.122386

Yatao Wang, Peng Zhang, Hongjuan Li, Qiuju Xu, Shujun Liu, Xiaopeng Liu, Xuehua Guo, Yitao Li, Jinzhang Liu, Sen Dong, Zhi Wei Seh, Qianfan Zhang

18 September 2023

Wang, Y., Zhang, P., Li, H., Xu, Q., Liu, S., Liu, X., Guo, X., Li, Y., Liu, J., Dong, S., Seh, Z. W., & Zhang, Q. (2024). Metal-Organic frameworks with two different metal centers for thiophene adsorption: Synthesis, characterization and mechanism analysis. Surface Science, 739, 122386. https://doi.org/10.1016/j.susc.2023.122386

Thiophene, widely found in fossil fuels, not only corrodes equipment but also causes great harm to the environment after combustion. Adsorptive desulfurization can deeply desulfurize fuels with low sulfur content and shows great development prospect. We experimentally studied the adsorption of thiophene and benzene in Cu-BTC and two types of IZE metal-organic frameworks (MOFs). By changing the temperature and concentration conditions, we compared the separation performance of MOFs with different metal centers. We found IZE-1 to have excellent s high thiophene adsorption capacity selectivity for thiophene adsorption at low thiophene concentration and (-up to 9.3 mg S/g MOF at 70℃), superior to that of Cu-BTC. We performed first-principles calculations and elucidated the mechanism of thiophene adsorption by analyzing the electronic structure of MOFs. The molecular dynamics simulation further explains the high selectivity of thiophene adsorption and the adsorption process. This study demonstrates the potential for MOFs to be used in thiophene adsorption, particularly at high thiophene concentrations.

Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)

This research is supported by core funding from: Central Research Fund Award
Grant Reference no. : N/A

https://oar.a-star.edu.sg/communities-collections/articles/23543

0039-6028

Institute of Materials Research and Engineering