Effect of nitrogen- and oxygen-containing functional groups on adsorption of styrene by activated carbon: A theoretical study by density functional theory

作者：Yihuan Zhou, Qiang Xie, Hongyang Zhou, Shimei Gu, Dingcheng Liang, Jinchang Liu · 发表于：Computational and Theoretical Chemistry · 年份：2024 · DOI：10.1016/j.comptc.2024.114896 · 被引用次数：10 · 研究领域：Analytical Chemistry and Chromatography、Adsorption and biosorption for pollutant removal、Advanced Physical and Chemical Molecular Interactions