Related Experiment Video
Updated: Jun 14, 2026

Two-way Valorization of Blast Furnace Slag: Synthesis of Precipitated Calcium Carbonate and Zeolitic Heavy Metal Adsorbent
Published on: February 21, 2017
Two-component relativistic density functional theory modeling of the adsorption of element 114(eka-lead) on gold
Andréi Zaitsevskii1, Christoph van Wüllen, Elena A Rykova
1RRC Kurchatov Institute, 1, Kurchatov sq., Moscow, 123182, Russia. zaitsevskii@kintech.ru
Abstract:
A cluster modeling of the interaction of an eka-Pb atom with the stable Au(111) surface using accurate small-core relativistic pseudopotentials and two-component non-collinear DFT is reported. The results obtained with two different types of exchange-correlation functionals (generalized-gradient and hybrid) are generally consistent and give rise to E114/Au(111) adsorption energy estimates within the range 0.4-0.5 eV. Substantial differences between the E114-Au and Pb-Au interactions are further corroborated.
Related Concept Videos
Adsorption Isotherms I
Adsorption Isotherms II
Extraction: Advanced Methods
Atomic Emission Spectroscopy: Overview
Adsorption of Gases on Solids
The Electrical Double Layer

