Exploring the Nanoconfinement Effect Using 2D Capillaries  

作　　者：Qian Yang 

机构地区：[1]Department of Physics and Astronomy,University of Manchester,Manchester M139PL,U.K.

出　　处：《Accounts of Materials Research》2023年第1期1-3,共3页材料研究述评（英文）

基　　金：the funding from Leverhulme Early Career Fellowship ECF-2019-612;the Dame Kathleen Ollerenshaw Fellowship from the University of Manchester.

摘　　要：INTRODUCTION The consensus that the structures and properties of spatially confined molecules are different from that of their bulk form has been well established through theory and simulations.This has contributed to our understanding of how molecules behave under nanoscale confinement to some extent.However,simulations have underlying assumptions,for instance,adopting classic force fields or macroscopic thermodynamic principles.Therefore,electron dynamics and interactions between confining surfaces and confined molecules may not be adequately described.For example,recent density functional theory work has predicted the hydrolysis of water molecules under strongly confining graphene walls,when considering the charge transfer between water and a graphene sheet.1 This is in stark contrast to the mainstream,which is backing a static,ice-like structure of nanoconfined water.

关 键 词：THEORY walls spatially 

分 类 号：TB383[一般工业技术—材料科学与工程]