Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide

Metal (Fe) and nonmetal (P) were used to modify TiO2, and then, several functional groups such as P-O, P=O, Fe-O, and -OH were introduced on its surface to enhance the adsorption capacity for Cd(II), which could reach 121 mg/g. According to the experimental analysis of adsorption performance, chemic...

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Autores principales:	Jingjing Ren, Liuchun Zheng, Feixiong Yang, Huajian Yu, Tao Zhang, Qianya Zhou, Hao Zeng, Lijuan Zhang, Peipei Meng
Formato:	article
Lenguaje:	EN
Publicado:	Hindawi - SAGE Publishing 2021
Materias:	Physical and theoretical chemistry QD450-801
Acceso en línea:	https://doaj.org/article/6262b089576545ff8f8d0f45d74176c2
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spelling	oai:doaj.org-article:6262b089576545ff8f8d0f45d74176c22021-11-08T02:37:24ZElectron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide2048-403810.1155/2021/4556493https://doaj.org/article/6262b089576545ff8f8d0f45d74176c22021-01-01T00:00:00Zhttp://dx.doi.org/10.1155/2021/4556493https://doaj.org/toc/2048-4038Metal (Fe) and nonmetal (P) were used to modify TiO2, and then, several functional groups such as P-O, P=O, Fe-O, and -OH were introduced on its surface to enhance the adsorption capacity for Cd(II), which could reach 121 mg/g. According to the experimental analysis of adsorption performance, chemical adsorption dominates the adsorption process, and the adsorption capacity increases with increasing temperature within a certain range. The results of competitive adsorption experiments showed that both Pb(II) and Cu(II) affect the adsorption of Cd(II) and that the adsorption order of P-Fe-TiO2 for heavy metal ions is PbII>CdII>CuII. We further investigated the adsorption mechanism of P-Fe-TiO2 for Cd(II) and the reasons for the difference in competitive adsorption and used DFT calculations to confirm the experimental results. In the analysis of binding energy and frontier molecular orbitals (FMOs), we confirmed that charge transfer occurred during the adsorption process, so chemical reactions occurred. The binding energy of P-Fe-TiO2 and Pb(II) is the largest. The results of the competitive adsorption experiment also confirmed that the adsorbent has the greatest effect on Pb. Mulliken analysis was used to identify the best binding site on the adsorbent. The results of electrostatic potential, total potential, and differential charge analysis further prove the conclusions described above.Jingjing RenLiuchun ZhengFeixiong YangHuajian YuTao ZhangQianya ZhouHao ZengLijuan ZhangPeipei MengHindawi - SAGE PublishingarticlePhysical and theoretical chemistryQD450-801ENAdsorption Science & Technology, Vol 2021 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Physical and theoretical chemistry QD450-801
spellingShingle	Physical and theoretical chemistry QD450-801 Jingjing Ren Liuchun Zheng Feixiong Yang Huajian Yu Tao Zhang Qianya Zhou Hao Zeng Lijuan Zhang Peipei Meng Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide
description	Metal (Fe) and nonmetal (P) were used to modify TiO2, and then, several functional groups such as P-O, P=O, Fe-O, and -OH were introduced on its surface to enhance the adsorption capacity for Cd(II), which could reach 121 mg/g. According to the experimental analysis of adsorption performance, chemical adsorption dominates the adsorption process, and the adsorption capacity increases with increasing temperature within a certain range. The results of competitive adsorption experiments showed that both Pb(II) and Cu(II) affect the adsorption of Cd(II) and that the adsorption order of P-Fe-TiO2 for heavy metal ions is PbII>CdII>CuII. We further investigated the adsorption mechanism of P-Fe-TiO2 for Cd(II) and the reasons for the difference in competitive adsorption and used DFT calculations to confirm the experimental results. In the analysis of binding energy and frontier molecular orbitals (FMOs), we confirmed that charge transfer occurred during the adsorption process, so chemical reactions occurred. The binding energy of P-Fe-TiO2 and Pb(II) is the largest. The results of the competitive adsorption experiment also confirmed that the adsorbent has the greatest effect on Pb. Mulliken analysis was used to identify the best binding site on the adsorbent. The results of electrostatic potential, total potential, and differential charge analysis further prove the conclusions described above.
format	article
author	Jingjing Ren Liuchun Zheng Feixiong Yang Huajian Yu Tao Zhang Qianya Zhou Hao Zeng Lijuan Zhang Peipei Meng
author_facet	Jingjing Ren Liuchun Zheng Feixiong Yang Huajian Yu Tao Zhang Qianya Zhou Hao Zeng Lijuan Zhang Peipei Meng
author_sort	Jingjing Ren
title	Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide
title_short	Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide
title_full	Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide
title_fullStr	Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide
title_full_unstemmed	Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide
title_sort	electron-scale insights into the single and coadsorption cd(ii) behaviors of a metal-nonmetal-modified titanium dioxide
publisher	Hindawi - SAGE Publishing
publishDate	2021
url	https://doaj.org/article/6262b089576545ff8f8d0f45d74176c2
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Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide

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