Abstract
We investigate the electronic and structural properties of two activated carbon models interacting with a Ni2+ ion via theoretical calculations. Interaction distances, charge transfer, adsorption energy, electrostatic potential maps, and density of states are applied in this work to support which activated carbon model is more favorable for nickel removal from the environment. We show that the existence of a defect in the activated carbon molecular structure causes a considerable change in the properties of the system, including its nickel ion removal feature via the adsorption process.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
