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Nitrogen-Containing Functional Groups-Facilitated Acetone Adsorption by ZIF-8-Derived Porous Carbon

机译:ZIF-8衍生的多孔碳促进含氮官能团的丙酮吸附

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摘要

Nitrogen-doped porous carbon (ZC) is prepared by modification with ammonia for increasing the specific surface area and surface polarity after carbonization of zeolite imidazole framework-8 (ZIF-8). The structure and properties of these ZCs were characterized by Transmission electron microscopy, X-ray diffraction, N2 sorption, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Through static adsorption tests of these carbons, the sample obtained at 600 °C was selected as an excellent adsorbent, which exhibited an excellent acetone capacity of 417.2 mg g−1 (25 °C) with a very large surface area and high-level nitrogen doping (13.55%). The microporosity, surface area and N-containing groups of the materials, pyrrolic-N, pyridinic-N, and oxidized-N groups in particular, were found to be the determining factors for acetone adsorption by means of molecular simulation with density functional theory. These findings indicate that N-doped microporous carbon materials are potential promising adsorbents for acetone.
机译:通过在沸石咪唑骨架8(ZIF-8)碳化后用氨气改性来制备氮掺杂的多孔碳(ZC),以增加比表面积和表面极性。这些ZC的结构和性质通过透射电子显微镜,X射线衍射,N 2吸附,X射线光电子能谱和傅里叶变换红外光谱来表征。通过对这些碳的静态吸附测试,选择了在600°C下获得的样品作为优异的吸附剂,它显示出417.2 mg g -1 (25°C)的优异丙酮容量,并且具有非常大的吸附能力。表面积和高水平氮掺杂(13.55%)。通过密度泛函理论的分子模拟,发现材料的微孔,表面积和含氮基团,特别是吡咯基-N,吡啶-N和氧化-N基团是丙酮吸附的决定因素。这些发现表明,N掺杂的微孔碳材料是潜在的有希望的丙酮吸附剂。

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