HE, PING; WU, JIANG; JIANG, XIUMIN; PAN, WEIGUO; REN, … - In: Surface Review and Letters (SRL) 21 (2014) 01, pp. 1450018-1
Density functional theory calculations are performed to provide a molecular-level understanding of the mechanism of mercury adsorption on sulfuric acid-impregnated carbonaceous surface. The carbonaceous surface is modeled by a nine-fused benzene ring in which its edge carbon atoms on the upper...