2021
DOI: 10.1016/j.jhazmat.2020.124729
|View full text |Cite
|
Sign up to set email alerts
|

Aluminum-based metal-organic frameworks (CAU-1) highly efficient UO22+ and TcO4− ions immobilization from aqueous solution

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
1
1

Citation Types

1
32
0

Year Published

2021
2021
2024
2024

Publication Types

Select...
9
1

Relationship

2
8

Authors

Journals

citations
Cited by 99 publications
(36 citation statements)
references
References 50 publications
1
32
0
Order By: Relevance
“…(ii) Adsorption sites and adsorption energy ( E ads ) were determined by the adsorption locator module. The supercell was constructed by slicing the (0,0,1) surface of NH 2 -MIL-125­(Ti) ( a = b = 18.6543 Å, c = 18.49605 Å) and inserting a 10 Å thick vacuum layer to prevent interactions. , (iii) The single point energy, band structure, and density of states (DOS) before and after UO 2 2+ ion adsorption were calculated using the DMol3 module with the solvation model; also, the SCF was set to 1.0 × 10 –5 Ha and the Monkhorst–Pack grid k -points were set to 3 × 3 × 1. The E ads was calculated by eq . , Herein, E NH 2 ‑MIL‑125(Ti)‑U , E NH 2 ‑MIL‑125(Ti) , and E U are the total energies of the NH 2 -MIL-125­(Ti) (0,0,1) surface adsorbing UO 2 2+ ion, NH 2 -MIL-125­(Ti) (0,0,1) surface, and UO 2 2+ ion, respectively. …”
Section: Materials and Methodsmentioning
confidence: 99%
“…(ii) Adsorption sites and adsorption energy ( E ads ) were determined by the adsorption locator module. The supercell was constructed by slicing the (0,0,1) surface of NH 2 -MIL-125­(Ti) ( a = b = 18.6543 Å, c = 18.49605 Å) and inserting a 10 Å thick vacuum layer to prevent interactions. , (iii) The single point energy, band structure, and density of states (DOS) before and after UO 2 2+ ion adsorption were calculated using the DMol3 module with the solvation model; also, the SCF was set to 1.0 × 10 –5 Ha and the Monkhorst–Pack grid k -points were set to 3 × 3 × 1. The E ads was calculated by eq . , Herein, E NH 2 ‑MIL‑125(Ti)‑U , E NH 2 ‑MIL‑125(Ti) , and E U are the total energies of the NH 2 -MIL-125­(Ti) (0,0,1) surface adsorbing UO 2 2+ ion, NH 2 -MIL-125­(Ti) (0,0,1) surface, and UO 2 2+ ion, respectively. …”
Section: Materials and Methodsmentioning
confidence: 99%
“…At low solution pH value, high concentration of H + competed with uranyl cations for binding sites on the surface of the adsorbent of GO-based nanomaterials, [114] thus reducing the adsorption efficiency of uranium(Ⅵ). With the increase of solution pH value, the surface of the adsorbent of GO-based nanomaterials becomes negatively charged due to the deprotonation process, at the same time, positive uranyl ionic complexes such as UO2OH + , (UO2)2(OH)2 2+ , and (UO2)3(OH)5 + are formed, [115,116] and then the electrostatic forces enhance between the positive uranyl complexes and the negatively charged surface of the GO-based nanomaterials as adsorbents to improve the adsorption efficiency of uranium. Meanwhile, further increase of the solution pH value can induce the hydrolysis of uranium ions, which leads to the formation of anionic complexes such as UO2(CO3)3 4-, UO2(CO3)2 2-, (UO2)3(OH)7 -, UO2 (OH)3 -, or UO2(OH)2 precipitation, and eventually to the reduction of the uranium adsorption efficiency.…”
Section: Effect Of Solution Ph Valuementioning
confidence: 99%
“…Therefore, U(VI) ions could easily migrate into Eco-environment, and health of human being and animals. (Qiu et al, 2021;Zhao et al, 2021;Zhong et al, 2021a). At present, various methods had been used to U(VI) removal and enrichment, including adsorption (Wang et al, 2021b;Zhong et al, 2021b), cation exchange (Taha, 2021;Venkateswara Rao et al, 2021), electrochemical treatment (Potgieter et al, 2020), photocatalytic treatment (Lei et al, 2021;Li et al, 2019), chemical precipitation (Lu et al, 2019;Zheng et al, 2020), etc.…”
Section: Introductionmentioning
confidence: 99%