Investigation of radionuclide ^(60)Co(Ⅱ) binding to TiO_2 by batch technique,surface complexation model and DFT calculations

查看全文 作　　者：REN [1]XueMei;YANG [1]ShiTong;TAN [1]XiaoLi;CHEN [1]ChangLun;WANG [1]XiangKe

机构地区：[1]Key Laboratory of Novel Thin Film Solar Cells,Institute of Plasma Physies,Chinese Aeademy qf Sciences,Hefei 230031,China

出　　处：《Science China Chemistry》索引2012年第55卷第9期,共8页

基　　金：Progress of Projects Supported by NSFC;supported by the National Basic Research Program of China (2011CB933700);the National Natural Science Foundation of China (20907055,20971126,21071147,91126020,21077107) 摘　　要：The interaction between radionuclides and solid/water interfaces is important to understand the physicochemical processes of radionuclides in the natural environment.Herein,the interaction of 60Co(Ⅱ) with TiO 2 in aqueous solution as a function of pH and ionic strength was studied by using batch technique combined with surface complexation model and density functional theory(DFT) calculations.The batch experimental results showed that the adsorption of 60Co(Ⅱ) was dependent on pH and independent of ionic strength,indicating the formation of inner-sphere surface complexes on TiO 2 surfaces.The results of surface complexation models and DFT calculations indicated that the surface species of 60Co(Ⅱ) adsorbed on TiO 2 followed the trend:B structure(i.e.,60Co(Ⅱ) was linked to one bridge oxygen site) was the dominant surface species at low pH,and TT structure(i.e.,60Co(Ⅱ) was linked to two terminal oxygen sites) became the important surface complex at neutral and alkaline pH values.These results demonstrated that a multi-technique approach could lead to definitive information on the structures of adsorbed 60Co(Ⅱ) at the molecular level at the TiO 2 /water interfaces,as well as realistic models to rationalize and accurately evaluate the macroscopic manifestations of radionuclide adsorption phenomena. 关键词：表面络合模型放射性核素批处理技术 DFT计算 TiO2 吸附现象物理化学过程密度泛函理论

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Investigation of radionuclide ^(60)Co(Ⅱ) binding to TiO_2 by batch technique,surface complexation model and DFT calculations

参考文献(38)

引证文献(4)

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