Graphdiyne as a promising material for detecting amino acids.
Graphdiyne as a promising material for detecting amino acids.
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DOI：
10.1038/srep16720
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发表时间：
2015-11-16
影响因子：
4.6
通讯作者：
Zhang S
中科院分区：
文献类型：
--
作者：
Chen X;Gao P;Guo L;Zhang S
采用从头计算方法研究了甘氨酸、谷氨酸、组氨酸和苯丙氨酸在单层石墨烯/石墨烯上的吸附行为。结果表明，对于氨基酸分子，石墨烯上的吸附能大于石墨烯上的吸附能，且吸附过程中分散作用占主导地位.分子动力学模拟结果表明，室温下氨基酸分子在石墨炔表面不断迁移和旋转，引起石墨炔带隙的涨落。此外，还研究了石墨烯-氨基酸体系的光子吸收光谱。我们发现氨基酸分子的存在使石墨二炔的光子吸收峰显著降低和移动。最后，量子电子输运性质的石墨炔氨基酸系统进行了比较，纯石墨炔的输运性质。我们发现，氨基酸分子诱导石墨二炔的电子电导率的明显变化。本文的研究结果表明石墨二炔是一种很有前途的二维材料，用于灵敏地检测氨基酸，并有可能用于生物传感器。
The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room temperature the amino acid molecules keep migrating and rotating on graphdiyne surface and induce fluctuation in graphdiyne bandgap. Additionally, the photon absorption spectra of graphdiyne-amino-acid systems are investigated. We uncover that the presence of amino acid molecules makes the photon absorption peaks of graphdiyne significantly depressed and shifted. Finally, quantum electronic transport properties of graphdiyne-amino-acid systems are compared with the transport properties of pure graphdiyne. We reveal that the amino acid molecules induce distinct changes in the electronic conductivity of graphdiyne. The results in this paper reveal that graphdiyne is a promising two-dimensional material for sensitively detecting amino acids and may potentially be used in biosensors.