Facet-Dependent Adsorption of Rare Earth Elements (REEs) and Actinides onto Goethite: REE Pattern Variability and Cerium Anomaly.
Sign Up to like & getrecommendations! Published in 2024 at "Environmental science & technology"
DOI: 10.1021/acs.est.4c04406
Abstract: Assessing the fate of contaminants in the environment requires a deep understanding of intrinsic adsorption mechanisms on natural minerals such as Fe-oxyhydroxides. In this study, we proposed an innovative approach to probe site heterogeneities on… read more here.
Keywords: elements rees; rare earth; adsorption; dependent adsorption ... See more keywords
Facet-Dependent Adsorption of Pb(II) on Hematite (001), (116), and (104) Surfaces.
Sign Up to like & getrecommendations! Published in 2025 at "Environmental science & technology"
DOI: 10.1021/acs.est.5c05288
Abstract: Hematite's common (001) and (012) facets are frequently used in model studies of lead (Pb) adsorption behavior, but there is a lack of research on the high-energy facets, e.g., (104), present in nature. Also, few… read more here.
Keywords: adsorption hematite; 001 116; adsorption; dependent adsorption ... See more keywords
Coverage-Dependent Adsorption of Phenol on Pt(111) from First Principles
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.9b07517
Abstract: We quantify the coverage dependence of the adsorbate–adsorbate and metal–adsorbate interactions for phenol on Pt(111) using density functional theory. For the four most favorable adsorption sites, ... read more here.
Keywords: phenol 111; coverage; coverage dependent; dependent adsorption ... See more keywords
Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111).
Sign Up to like & getrecommendations! Published in 2022 at "Physical review letters"
DOI: 10.1103/physrevlett.130.078001
Abstract: Adsorption of carbon monoxide (CO) on transition-metal surfaces is a prototypical process in surface sciences and catalysis. Despite its simplicity, it has posed great challenges to theoretical modeling. Pretty much all existing density functionals fail… read more here.
Keywords: adsorption; machine; coverage; adsorption 111 ... See more keywords