Physical chemistry chemical physics : PCCP
Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics.
Tyler Walker, Ke Yuan, Sai Adapa, Andrew G Stack, Stephan Irle
Published: 202610.1039/d5cp03611a
Abstract
Ion sorption extent and mechanism depend in part on the mineral surface termination, which can be highly complex. Variations in surface functional groups, particularly with defect density and surface roughness, influence mineral reactivity towards so…
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