APP下载

Super-strong interactions between multivalent anions and graphene∗

2021-05-06XingLiu刘星andGuoshengShi石国升

Chinese Physics B 2021年4期
关键词:刘星

Xing Liu(刘星) and Guosheng Shi(石国升),2,†

1Shanghai Applied Radiation Institute,State Key Laboratory Advanced Special Steel,Shanghai University,Shanghai 200444,China

2Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology,Shanghai Institute of Applied Physics,Chinese Academy of Sciences,Shanghai 201800,China

Keywords: graphene,multivalent anions,anion–π interaction,density functional theory

1. Introduction

Recently,graphene/graphene oxide(GO)-based materials have been employed for the development of DNA biosensors and are widely used in genetics,clinical medicine,pathology,and many other fields.[19–23]These applications are related to the interaction between graphene/GO and DNA.[24–26]However, most researches focused on the interaction between nucleic acid bases and graphene,[27–30]the interaction of backbone phosphate groups are ignored. As an important component of DNA/RNA backbone,phosphate groups played important roles in biochemistry.[31]In the backbone of DNA/RNA,phosphoric group links two nucleotides and still ionized as monovalent anion. At the termini of DNA/RNA, phosphoric group is bivalent anion.[32]Thus,it is necessary to investigate the interaction between phosphate groups with different valence and graphene from the molecular level to provide assistance for the design and application of graphene-based DNA biosensor. Methyl phosphate[33]can be regarded as a simple analog of phosphate moieties in DNA/RNA to research the interaction between multivalent anions and the electron-rich graphene.

2. Methods

where Eanion@G,EG,and Eanionare the total energy of the anion adsorption on a graphene flake, the isolated anion, and a graphene flake,respectively. For different anions,the adsorption energies, average nearest oxygen–carbon distances, and transfer Mullikan charges are shown in Table 1.

猜你喜欢

刘星
门神
人工智能情境下的行政裁量存在吗?
智能产品是智能制造的最终目标
人工智能与制造业融合渐进
可再生能源持续发展提高消纳能力是关键
The analyze the diverse themes in plots from the lottery
“2016第三届轨道交通供电系统技术大会”主题回顾
2016第三届轨道交通供电系统技术大会在京盛大举办
渐行渐远的超级电容器
整合网络CC-Link IE,使工业用网络进一步开放