Cytosine Adsorption on Graphene Introducing Dopant: A First-Principles Study
首发时间:2009-01-05
Abstract:The adsorption of cytosine on graphene surface is studied using density functional theory with local density approximation. The cytosine is physisorbed onto graphene through π-π interaction, with a binding energy around -0.39 eV. Due to the weak interaction, the electronic properties of graphene show little change upon adsorption. The cytosine/graphene interaction can be strongly enhanced by introducing metal atoms. The binding energies increase to -0.60 and -2.31 eV in the presence of Li and Co atoms, respectively. The transport behavior of an electric sensor based on Co-doped graphene shows a sensitivity one magnitude higher than that of a similar device using pristine graphene. This work reveals that the sensitivity of graphene-based bio-sensors could be drastically improved by introducing appropriate metal atoms.
keywords: Binding energy Cytosine Sensor
点击查看论文中文信息
第一性原理研究胞嘧啶在掺杂石墨烯上的吸附
摘要:我们使用DFT-LDA的方法研究了胞嘧啶在石墨烯上的吸附。在完美的石墨烯上,它们的作用属于弱的物理吸附,吸附能只有-0.39 eV。根据这弱的相互作用,石墨烯吸附该生物分子后对石墨烯的电学性质会有很小的影响。这种作用在金属的存在下会有很大的提高。它们之间的吸附能可以达到-0.60 和-2.31 eV在金属Li和Co的存在下。基于Co掺杂的石墨烯应用于传感材料,我们研究了其电子输运性质。Co掺杂的石墨烯对胞嘧啶的敏感程度要高于完美石墨烯一个数量级。该工作提出了石墨烯在引入合理金属元素后可以很大程度改善其在生物传感方面的应用。
关键词: 吸附能;胞嘧啶;传感器
论文图表:
引用
No.2728137184012311****
同行评议
勘误表
第一性原理研究胞嘧啶在掺杂石墨烯上的吸附
评论
全部评论0/1000