This study focused on the role of pore structures and nitrogen surface functional groups in the formaldehyde (HCHO) adsorption on the carbonized resin‐based materials (UFC). After comparing the optimal sample UFAC‐700 obtained by the activation of UFC at 700°C with the commercial activated carbon (CAC) and other UFC, the HCHO adsorption capacity for UFAC‐700 (12.30 mg g⁻¹) is more than three times and 10 times of that for CAC and UFC, respectively. Abundant pore structures could provide more adsorption sites for the initial stage of HCHO adsorption. Moreover, according to the density functional theory (DFT) calculations, pyrrolic‐N could enhance the adsorption energy and polar interaction of HCHO due to electrostatic force between the positively charged H attached to the nitrogen group and the negatively charged O atoms in the HCHO molecule. This study introduced a novel way to specifically design the surface modifications for volatile organic compounds (VOCs) adsorption.

中文翻译：

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孔隙结构和氮表面基团在甲醛对树脂基碳的吸附行为中的作用

这项研究集中于孔结构和氮表面官能团在碳化树脂基材料（UFC）吸附甲醛（HCHO）中的作用。将通过700°C的UFC活化获得的最佳样品UFAC-700与市售活性炭（CAC）和其他UFC进行比较后，UFAC-700的HCHO吸附容量（12.30 mg g ^-1）分别是CAC和UFC的三倍和十倍。丰富的孔结构可以为HCHO吸附的初始阶段提供更多的吸附位。此外，根据密度泛函理论（DFT）的计算，由于附着在氮基上的带正电荷的H和带负电荷的O原子之间的静电力，吡咯-N可以增强HCHO的吸附能和极性相互作用。这项研究介绍了一种新颖的方法，专门设计用于挥发性有机化合物（VOC）吸附的表面改性。