Voltage controlled iontronic switches:a computational method to predict electrowetting in hydrophobically gated nanopores  

作　　者：Goncalo Paulo Alberto Gubbiotti Giovanni Di Muccio Alberto Giacomello 

机构地区：[1]Dipartimento di Ingegneria Meccanica e Aerospaziale,Sapienza Universita di Roma,Rome,Italy

出　　处：《International Journal of Smart and Nano Materials》2024年第1期165-185,共21页国际智能和纳米材料杂志（英文）

基　　金：supported by the H2020 European Research Council[803213];Partnership for Advanced Computing in Europe AISBL。

摘　　要：Reliable and controllable switches are crucial in nanofluidics and iontronics.lon channels found in nature serve as a rich source of inspiration due to their intricate mechanisms modulated by stimuli like pressure,temperature,chemical species,and voltage.The artifi-cial replication of the properties of these channels is challenging due to their complex chemistry,limited stability range,and intricate moving parts,allosterically modulated.Nonetheless,we can harness some of the gating mechanisms of ion channels for nanofluidic and iontronic purposes.This theoretical and computational study explores the use of electrowetting in simple hydrophobic nanopores to control their conductance using an external applied voltage.We employ restrained molecular dynamics to calculate the free energy required for wetting a model nanopore under different voltages.Utilizing a simple theory,we generate free energy profles across a wide voltage range.We also computed transition rates between conductive and non-conductive states,showing their voltage depen-dence and how this behavior can impair memory to the system,resembling the memristor behavior voltage-gated channels in the brain.The proposed framework provides a promising avenue for designing and controlling hydrophobic nanopores via electrowet-ting,enabling potential applications in neuromorphic iontronics.

关 键 词：ELECTROWETTING lontronics hydrophobic gating 

分 类 号：TB3[一般工业技术—材料科学与工程] TN2[电子电信—物理电子学]