activity
20102022
most citedElucidating the Bimodal Acid-base Behavior of the Water-silica Interface from First Principles

257 citations · 359 across the 5 of their papers we have counts for

collaborators

5 papers

physics.chem-ph2022★ 56 cited

Adsorption at Nanoconfined Solid-Water Interfaces

Anastasia G. Ilgen, Kevin Leung, Louise J. Criscenti +1

Reactions at solid-water interfaces play a foundational role in water treatment systems, catalysis, chemical separations, and in predicting chemical fate and transport in the envir…

cond-mat.mtrl-sci2021★ 7 cited

Interplay of Physically Different Properties Leading to Challenges in Separating Lanthanide Cations -- an Ab Initio Molecular Dynamics and Experimental Study

Kevin Leung, Anastasia G. Ilgen, Louise J. Criscenti

The lanthanide elements have well-documented similarities in their chemical behavior, which makes the valuable trivalent lanthanide cations (Ln(III)) particularly difficult to sepa…

physics.chem-ph2018★ 37 cited

Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surfaces

Kevin Leung, Louise J. Criscenti, Andrew W. Knight +3

The adsorption equilibrium constants of monovalent and divalent cations to material surfaces in aqueous media are central to many technological, natural, and geochemical processes.…

cond-mat.soft2018★ 2 cited

Atomic-scale interaction of a crack and an infiltrating fluid

R. E. Jones, W. C. Tucker, J. M. Rimsza +1

In this work we investigate the Orowan hypothesis, that decreases in surface energy due to surface adsorbates lead directly to lowered fracture toughness, at an atomic/molecular le…

cond-mat.mtrl-sci2010★ 257 cited

Elucidating the Bimodal Acid-base Behavior of the Water-silica Interface from First Principles

Kevin Leung, Ida M. B. Nielsen, Louise J. Criscenti

Understanding the acid-base behavior of silica surfaces is critical for many nanoscience and bio-nano interface applications. Silanol groups (SiOH) on silica surfaces exhibit two a…