Yang Shubin, Chen Changlun, Chen Yue, Li Jiaxing, Wang Dongqi, Wang Xiangke, Hu Wenping
School of Environment and Chemical Engineering, North China Electric Power University, Beijing 102206 (P.R. China).
Department Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyo-ku, Kyoto 606-8103 (Japan).
Chempluschem. 2015 Mar;80(3):480-484. doi: 10.1002/cplu.201402284. Epub 2014 Nov 7.
The individual and competitive adsorption of Pb , Ni , and Sr on graphene oxides (GOs) was investigated by experimental and density functional theory (DFT) studies. Experimental results indicate that 1) in all the single, binary, and ternary metal-ion adsorption systems, the sequence of maximum adsorption capacities is Pb >Ni >Sr on GOs; 2) the desorption hysteresis of metal ions from GOs shows the adsorption affinity in the same sequence: Pb >Ni >Sr . For the first time, DFT calculations indicate that 1) Pb and Ni prefer to interact with the COH group, whereas Sr interacts with COH and COC comparably, and 2) Pb can easily abstract the OH group from the GOs to form the much more stable Pb(OH)-GO complex. These findings are very important and useful for understanding the mechanisms of heavy-metal-ion adsorption on GOs and assessing the adsorption of coexisting heavy-metal ions on GOs.
通过实验和密度泛函理论(DFT)研究,对铅、镍和锶在氧化石墨烯(GOs)上的单独吸附和竞争吸附进行了研究。实验结果表明:1)在所有单一、二元和三元金属离子吸附体系中,GOs上最大吸附容量的顺序为Pb>Ni>Sr;2)金属离子从GOs上的解吸滞后现象显示出相同顺序的吸附亲和力:Pb>Ni>Sr。DFT计算首次表明:1)Pb和Ni倾向于与COH基团相互作用,而Sr与COH和COC的相互作用相当;2)Pb可以很容易地从GOs上夺取OH基团,形成更稳定的Pb(OH)-GO络合物。这些发现对于理解重金属离子在GOs上的吸附机制以及评估共存重金属离子在GOs上的吸附非常重要且有用。