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090			_aB-21927
245	1	0	_aAmide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): process optimization, experimental, and density functional theory insight.
490	0		_aColloids and Surfaces A: Physicochemical and Engineering Aspects, 690, 133803, 2024.
500			_aArtículo
520	3		_aLong-term exposure to arsenite (As3+) from water resources poses a global health concern. In the current study, g-C3N4 (C3N4) nanosheets were functionalized with amide groups to increase their adsorption capacity to remove As3+ from aqueous environments. Experimental assessments and density functional theory (DFT) calculations have been utilized to explore the adsorption characteristics of As3+ on C3N4 and amide-functionalized C3N4 (AC3N4) nanosheets. The central composite design (CCD) method unveiled the optimal operating conditions, including a pH level of 6.5, an adsorbent mass of 0.12 g, and an As3+ initial concentration of 250 mg/L. The AC3N4 nanosheet showed a higher adsorption capacity (205.8 mg/g) than the pristine C3N4 nanosheet (27.7 mg/g). The experimental data demonstrated conformity with the Freundlich isotherm in the adsorption study. DFT calculations revealed that the As3+/AC3N4 complex exhibited a higher adsorption energy (-40.98 eV) and stronger covalent bonds than the As3+/C3N4 complex (28.34 eV). The outstanding adsorptive properties of AC3N4 present it as an effective adsorbent for eliminating heavy metal ions from water, highlighting its capability for environmental remediation.
650	1	4	_aNANOSHEET
650	1	4	_aFUNCTIONALIZATION
650	1	4	_aHEAVY METALS
650	1	4	_aADSORPTION
650	1	4	_aDENSITY FUNCTIONAL THEORY
700	1	2	_aKhajavian, M.
700	1	2	_aKaviani, S.
700	1	2	_aPiyanzina, I.
700	1	2	_aTayurskii, D. A.
700	1	2	_aNedopekin, O. V.
700	1	2	_a& Haseli, A.
856	4	0	_uhttps://drive.google.com/file/d/1pKDfC1NCHMY5i3lNwehCbD5M9Sn-3uGx/view?usp=drive_link _zPara ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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