LAUSR

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.