▎ 摘　　要

The efficient removal of heavy metal by rationally designed carbon-based adsorbents is a key challenge in the field of water purification. Herein, we report a nitrogen-enriched lignosulfonate exfoliated graphene oxide (NLEGO) for hexavalent chromium (Cr(VI)) removal from aqueous solution. The nitrogen content of N-LEGO reached 13.28%, and the ratio of N-bonding configurations (pyri-N:amine-N:pyrro-N:grap-N) was 2.3:1.6:1:2.3. For Cr(VI) with initial concentration of 70 mg L-1 under pH= 2, the residuary concentration after treated by NLEGO was close to 0.004 mg L-1, which meets the industrial wastewater discharge standard. The Cr(VI) adsorption behavior on N-LEGO can be fitted with the pseudo-second-order kinetics and Freundlich isotherm model well. The adsorption mechanism of Cr(VI) on N-LEGO includes anions electrostatic attraction, reduction and surface chelation. Density functional theory (DFT) simulations showed that N atoms doping was feasible and thermodynamically stable, meanwhile the N-doped system was easier to adsorb Cr2O72-than HCrO4-. The findings of this work can provide a new idea for the development of N-doped carbon-based adsorbents for the removal of highly toxic Cr(VI) from aqueous solutions.