000219286 001__ 219286
000219286 005__ 20180913063744.0
000219286 0247_ $$2doi$$a10.1021/acs.jpclett.6b00280
000219286 022__ $$a1948-7185
000219286 02470 $$2ISI$$a000373867600046
000219286 037__ $$aARTICLE
000219286 245__ $$aStrong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding
000219286 260__ $$aWashington$$bAmer Chemical Soc$$c2016
000219286 269__ $$a2016
000219286 300__ $$a6
000219286 336__ $$aJournal Articles
000219286 520__ $$aDefects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boron nitride sheets. We show that water dissociates at certain defects and that these "reactive" defects lead to much larger friction than the "nonreactive" defects at which water molecules remain intact. Furthermore, we find that friction is extremely sensitive to the chemical structure of reactive defects and to the number of hydrogen bonds they can partake in with the liquid. Finally, we discuss how the insight obtained from AIMD can be used to quantify the influence of defects on friction in nanofluidic devices for water treatment and sustainable energy harvesting. Overall, we provide new insight into the role of interfacial chemistry on nanofluidic transport in real, defective systems.
000219286 700__ $$aJoly, Laurent$$uUniv Lyon 1, CNRS, Inst Lumiere Mat, UMRS306, F-69622 Villeurbanne, France
000219286 700__ $$aTocci, Gabriele$$uUCL, Thomas Young Ctr, London Ctr Nanotechnol, London WC1H 0AJ, England
000219286 700__ $$aMerabia, Samy$$uUniv Lyon 1, CNRS, Inst Lumiere Mat, UMRS306, F-69622 Villeurbanne, France
000219286 700__ $$aMichaelides, Angelos$$uUCL, Thomas Young Ctr, London Ctr Nanotechnol, London WC1H 0AJ, England
000219286 773__ $$j7$$k7$$q1381-1386$$tJournal Of Physical Chemistry Letters
000219286 909C0 $$0252448$$pIMX$$xU10330
000219286 909CO $$ooai:infoscience.tind.io:219286$$pSTI$$particle
000219286 937__ $$aEPFL-ARTICLE-219286
000219286 973__ $$aEPFL$$rREVIEWED$$sPUBLISHED
000219286 980__ $$aARTICLE