Journal article
Desulfurization Efficiency Preserved in a Heterometallic MOF: Synthesis and Thermodynamically Controlled Phase Transition
Advanced science, Vol.6(7), pp.1802056-n/a
04/03/2019
DOI: 10.1002/advs.201802056
PMCID: PMC6446612
PMID: 30989028
Abstract
Efficient removal of heterocyclic organosulfur compounds from fuels can relieve increasingly serious environmental problems (e.g., gas exhaust contaminants triggering the formation of acid rain that can damage fragile ecological systems). Toward this end, novel metal-organic frameworks (MOFs)-based sorbent materials are designed and synthesized with distinct hard and soft metal building units, specifically {[Yb6Cu12(OH)4(PyC)12(H2O)36]·(NO3)14·xS}n (QUST-81) and {[Yb4O(H2O)4Cu8(OH)8/3(PyC)8(HCOO)4]·(NO3)10/3·xS}n (QUST-82), where H2PyC = 4-Pyrazolecarboxylic acid. Exploiting the hard/soft duality, it is shown that the more stable QUST-82 can preserve desulfurization efficiency in the presence of competing nitrogen-containing contaminate. In addition, thermodynamically controlled single-crystal-to-single-crystal (SC–SC) phase transition is uncovered from QUST-81 to QUST-82, and in turn, mechanistic features are probed via X-ray diffraction, inductively coupled plasma atomic emission spectroscopy, and ab initio molecular dynamics simulations.
Details
- Title: Subtitle
- Desulfurization Efficiency Preserved in a Heterometallic MOF: Synthesis and Thermodynamically Controlled Phase Transition
- Creators
- Yi Han - Qingdao University of Science and TechnologyMichael A. Sinnwell - Pacific Northwest National LaboratorySimon J. Teat - Lawrence Berkeley National LaboratoryMaria L. Sushko - Pacific Northwest National LaboratoryMark E. Bowden - Pacific Northwest National LaboratoryQuin R. S. Miller - Pacific Northwest National LaboratoryHerbert T. Schaef - Pacific Northwest National LaboratoryLili Liu - Pacific Northwest National LaboratoryZimin Nie - Pacific Northwest National LaboratoryJun Liu - Pacific Northwest National LaboratoryPraveen K. Thallapally - Pacific Northwest National Laboratory
- Resource Type
- Journal article
- Publication Details
- Advanced science, Vol.6(7), pp.1802056-n/a
- DOI
- 10.1002/advs.201802056
- PMID
- 30989028
- PMCID
- PMC6446612
- NLM abbreviation
- Adv Sci (Weinh)
- ISSN
- 2198-3844
- eISSN
- 2198-3844
- Publisher
- John Wiley and Sons Inc
- Grant note
- KC020105‐FWP12152 / Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. DOE DE‐AC05‐76RL01830 / Battelle Memorial Institute DE‐AC02‐05CH11231 / DOE Office of Science User Facility 21601102 / National Natural Science Foundation of China 20170035 / International Postdoctoral Exchange Fellowship Program 18‐2‐2‐32‐jch / Scientific and Technical Development Project of Qingdao ZR2016BQ34 / Natural Science Foundation of Shandong Province
- Language
- English
- Date published
- 04/03/2019
- Academic Unit
- Chemistry
- Record Identifier
- 9984936507902771
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