First-Principles Studies of Adsorptive Remediation of Water and Air Pollutants Using Two-Dimensional MXene Materials
Abstract
:1. Introduction
2. Brief Introductions to the Development of First-Principles Simulation
3. Structures of MXene Materials
4. First-Principles Progress of Adsorption of Pollutants on MXenes
4.1. Heavy Metal Elements Adsorption
4.2. Radionuclide Elements Adsorption
4.3. Gaseous Pollutants Adsorption
5. Summary and Outlook
Author Contributions
Funding
Conflicts of Interest
References
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MXene | Adsorbate | Main Adsorption Interaction | Reference |
---|---|---|---|
Ti3C2(OH)2 | Mad(II) (Mad = Pb, Cu, Zn, Pd, Cd) | Mad–O bonds | [47,48] |
M2C(OH)2 (M = Ti, V, Cr, Nb, Mo, Hf, Ta) M2N(OH)2 (M = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta) | Pb(II) | Pb–O bonds | [49] |
Mn+1Cn (Ti3C2, V2C1, Ti2C1) | Mad (Mad = Pb, Cu) | Mad–M and Mad–C interactions | [30] |
Ti2C(OH)2, Ti3C2(OH)2 | Au | Au–OH bonds | [55] |
Ti3C2(OH)2 | U (IV) | U–O bonds | [25] |
V2C(OH)2 | U (IV) | U–O bonds | [24] |
M2CO2 (M = Sc, Ti, Zr, and Hf) | NH3 | N–M bonds | [57,58] |
Sc2CO2 | SO2 | S–Sc bonds | [59] |
M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) | CO2 | CO2–MXene complex interactions | [60] |
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Zhang, Y.; Zhang, N.; Ge, C. First-Principles Studies of Adsorptive Remediation of Water and Air Pollutants Using Two-Dimensional MXene Materials. Materials 2018, 11, 2281. https://doi.org/10.3390/ma11112281
Zhang Y, Zhang N, Ge C. First-Principles Studies of Adsorptive Remediation of Water and Air Pollutants Using Two-Dimensional MXene Materials. Materials. 2018; 11(11):2281. https://doi.org/10.3390/ma11112281
Chicago/Turabian StyleZhang, Yujuan, Ningning Zhang, and Changchun Ge. 2018. "First-Principles Studies of Adsorptive Remediation of Water and Air Pollutants Using Two-Dimensional MXene Materials" Materials 11, no. 11: 2281. https://doi.org/10.3390/ma11112281