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Mechanism adsorption analysis during the removal of Cd2+ and Cu2+ onto cedar sawdust via experiment coupled with theoretical calculation: Mono- and multicomponent systems
In this work, a deeper comprehension of the adsorption phenomena for Cd2+ and Cu2+ occurring in mono- and multicomponent systems on an adsorbent material obtained from cedar sawdust was accomplished by using spectroscopic ...
Not a Mere Decoration: Impact of Submonolayer Coverages of Nickel on Fundamental Properties of Platinum
Theoretical insights have been gained into nickel adatom interaction with model platinum basal planes, and evolution of their fundamental properties with growing nickel surface coverage has been analyzed. Calculations have ...
Impact of single Pt atom adsorption on fundamental properties of blue phosphorene and its activity toward hydrogen evolution reaction
The adsorption of single H atom and H2 on blue phosphorene monolayer with and without Pt atom adsorbed on the surface has been investigated using density functional theory with the Perdew-Burke-Ernzerhof exchange correlation ...
Impact of different structural defects on fundamental properties of blue phosphorene nanotubes
Using density functional theory, we present the effect of different structural defects on electronic and optical properties of blue phosphorene nanotubes of both armchair and zigzag chirality. In addition, we have considered ...