Single-molecule DNA sequencing using two-dimensionalTi2C(OH)2 MXene nanopores: A first-principles investigation  

作　　者：Jariyanee Prasongkit Sirichok Jungthawan Rodrigo G.Amorim Ralph H.Scheicher 

机构地区：[1]Division of Physics,Faculty of Science,Nakhon Phanom University,Nakhon Phanom 48000,Thailand [2]School of Physics,Institute of Science,Suranaree University of Technology,111 University Ave,Nakhon Ratchasima 30000,Thailand [3]Center of Excellence in Advanced Functional Materials,Suranaree University of Technology,Nakhon Ratchasima 30000,Thailand [4]Thailand Center of Excellence in Physics,Ministry of Higher Education,Science,Research and Innovation,328 Si Ayutthaya Road,Bangkok 10400,Thailand [5]Departamento de Física,ICEx,Universidade Federal Fluminense-UFF,Volta Redonda/RJ 27213-145,Brazil [6]Division of Materials Theory,Department of Physics and Astronomy,Uppsala University,Uppsala SE-75120,Sweden

出　　处：《Nano Research》2022年第11期9843-9849,共7页纳米研究（英文版）

基　　金：support from the Thailand Research Fund(MRG6280150);S.J.is supported by Suranaree University of Technology(SUT);Thailand Science Research and Innovation(TSRI);National Science,Research and Innovation Fund(NSRF grant No.B05F640051);R.G.A.thanks for financial support from CNPq(Nos.437182/2018-5 and 313076/2020-0);also FAPERJ(Nos.E-26/010.101126/2018 and 26/202.699/2019).R.H.S.ackn。

摘　　要：Nanopore-based devices have provided exciting opportunities to develop affordable label-free DNA sequencing platforms.Over a decade ago,graphene has been proposed as a two-dimensional(2D)nanopore membrane in order to achieve single-base resolution.However,it was experimentally revealed that clogging of the graphene nanopore can occur due to the hydrophobic nature of graphene,thus hindering the translocation of DNA.To overcome this problem,the exploration of alternative 2D materials has gained considerable interest over the last decade.Here we show that a Ti_(2)C-based MXene nanopore functionalized by hydroxyl groups(–OH)exhibits transverse conductance properties that allow for the distinction between all four naturally occurring DNA bases.We have used a combination of density functional theory and non-equilibrium Green’s function method to sample over multiple orientations of the nucleotides in the nanopore,as generated from molecular dynamics simulations.The conductance variation resulting from sweeping an applied gate voltage demonstrates that the Ti_(2)C-based MXene nanopore possesses high potential to rapidly and reliably sequence DNA.Our findings open the door to further theoretical and experimental explorations of MXene nanopores as a promising 2D material for nanopore-based DNA sensing.

关 键 词：NANOPORE DNA sequencing MXenes FIRST-PRINCIPLES quantum transport 

分 类 号：TB383[一般工业技术—材料科学与工程]