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首页> 外文期刊>Carbon: An International Journal Sponsored by the American Carbon Society >The suitability of infinite slit-shaped pore model to describe the pores in highly porous carbon materials
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The suitability of infinite slit-shaped pore model to describe the pores in highly porous carbon materials

机译:无限狭缝形孔隙模型对描述高孔隙度碳材料中孔隙的适用性

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摘要

The slit-shaped pore model is often assumed to be the most suitable to describe the pores in micro-/mesoporous carbon materials. This article analyses the suitability of this assumption when pore size distribution of carbon materials is calculated applying non-local density functional theory (NLDFT) to nitrogen adsorption isotherms. For further insight, three micro-/mesoporous carbide derived carbons (CDC-s) synthesised from SiC, TiC and Mo2C, respectively, and denoted as SiC-CDC, TiC-CDC and Mo2C-CDC, were characterized with nitrogen sorption, small angle neutron scattering (SANS) and Raman spectroscopy methods. Although the SANS and NLDFT with slit-shaped pore model produced coinciding results for pore widths, it was found that the pores in all three carbon materials have different shapes and width-to-length ratios. Pores in SiC-CDC can be approximated to sphere-like, in TiC-CDC to cylinder-like and in Mo2C-CDC to slit-like shape. It was also suggested that the pore length may contribute significantly to the pore size distribution calculated using NLDFT model. Thus, the shape of pores in the carbon material investigated should be verified before the performance of carbon materials is explained in detail by the size and porous structure of micro-/mesoporous carbon materials. (C) 2016 Elsevier Ltd. All rights reserved.
机译:通常认为狭缝形孔模型最适合描述微/中孔碳材料中的孔。本文使用非局部密度泛函理论(NLDFT)对氮吸附等温线计算碳材料的孔径分布时,分析了该假设的适用性。为了进一步了解,分别用SiC,TiC和Mo2C合成了三种微/中碳化物衍生的碳(CDC-s),分别表示为SiC-CDC,TiC-CDC和Mo2C-CDC,具有氮吸附,小角度的特征。中子散射(SANS)和拉曼光谱法。尽管具有狭缝形孔模型的SANS和NLDFT产生了一致的孔宽度结果,但是发现所有三种碳材料中的孔具有不同的形状和宽长比。 SiC-CDC中的孔可以近似为球形,TiC-CDC中的孔近似为圆柱状,而Mo2C-CDC中的孔近似为狭缝状。也有人建议,孔径可能对使用NLDFT模型计算出的孔径分布有显着贡献。因此,在通过微孔/中孔碳材料的尺寸和多孔结构详细解释碳材料的性能之前,应先验证所研究碳材料中孔的形状。 (C)2016 Elsevier Ltd.保留所有权利。

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