期刊
NANO LETTERS
卷 -, 期 -, 页码 -出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.2c02603
关键词
DNA detection; nanopore; 2D materials; graphene; MoS2; MXene
类别
资金
- Center for Machine Learning in Health (CMLH) at Carnegie Mellon University
- Mechanical Engineering Department at CMU
This study compares the performance of nanoporous graphene, MoS2, and MXene in DNA detection through extensive molecular dynamics simulations. It is found that graphene nanopore is the most sensitive in distinguishing DNA bases, while MoS2 is better than graphene and MXene in distinguishing A and T bases from C and G bases.
Despite much research on characterizing 2D materials for DNA detection with nanopore technology, a thorou comparison between the performance of different 2D materials is currently lacking. In this work, using extensive molecular dynamics simulations, we compare nanoporous graphene, MoS2 and titanium carbide MXene (Ti3C2) for their DNA detection performance and sensitivity. The ionic current and residence time of DNA are characterized in each nanoporous materials by performing hundreds of simulations. We devised two statistical measures including the Kolmogorov-Smirnov test and the absolute pairwise difference to compare the performance of nanopores. We found that graphene nanopore is the most sensitive membrane for distinguishing DNA bases. The MoS2 is capable of distinguishing the A and T bases from the C and G bases better than graphene and MXene. Physisorption and the orientation of DNA in nanopores are further investigated to provide molecular insight into the performance characteristics of different nanopores.
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