کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1607655 1516237 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
CO2 capture and positional disorder in Cu3(1,3,5-benzenetricarboxylate)2: An in situ laboratory X-ray powder diffraction study
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
CO2 capture and positional disorder in Cu3(1,3,5-benzenetricarboxylate)2: An in situ laboratory X-ray powder diffraction study
چکیده انگلیسی


• In situ   laboratory X-ray diffraction to study HKUST-1 structure as f(pCO2).
• Locations of CO2 groups determined inside the pores.
• CO2 groups are highly disordered.
• Amount of CO2 adsorbed in HKUST-1increases as pCO2 increases.

Ambient-temperature capture of CO2 by the metal-organic framework Cu3(BTC)2 (BTC ≡ 1,3,5-benzenetricarboxylate), known as HKUST-1, has been studied in situ in a laboratory X-ray powder diffractometer under gas-flowing conditions. The diffraction patterns were collected at partial pressures of CO2(pCO2) ranging from 0.2 bar to 6 bar. Rietveld refinements combined with the difference Fourier maps identified two principal absorption sites, which agreed with the results of previous low-temperature neutron diffraction studies. At ambient temperature, the CO2 molecules on both sites exhibit considerable positional and rotational disorder, which contrasts with their ordered positions determined by neutron diffraction at cryogenic temperatures. The amount of the adsorbed CO2 increased continuously with increasing pCO2 and reached ≈1.8 CO2 molecules per Cu atom at pCO2 = 6 bar. The results of this work, while providing new insights into the CO2 adsorption of HKUST-1, demonstrate that laboratory X-ray powder diffraction can be successfully used to identify locations of CO2 molecules during in situ gas-adsorption experiments.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 656, 25 January 2016, Pages 200–205
نویسندگان
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