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首页> 外文期刊>RSC Advances >Novel insights into L-cysteine adsorption on transition metal doped graphene: influences of the dopant and the vacancy
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Novel insights into L-cysteine adsorption on transition metal doped graphene: influences of the dopant and the vacancy

机译：对过渡金属掺杂石墨烯的L-半胱氨酸吸附的新洞察：掺杂剂的影响和空缺

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摘要

Exploring potential applications of transition metal (TM) doped graphene in biomolecular adsorption is of fundamental relevance to the area of nanobiotechnology. Herein, we investigated L-cysteine adsorption on first-row transition metal (Sc-Zn) doped single-vacancy and double-vacancy graphenes (MSVs and MDVs) using density functional theory calculations. Three types of upright adsorption configurations, via unprotonated S-end, O-end and N-end functional groups, were considered. All the MSVs chemically adsorb L-cysteine with no regular variation tendency. MDVs show decreasing chemisorption from V to Co, followed by emergence of physisorption from Ni to Zn. L-Cysteine adsorption on MDVs is weaker than that on MSVs, starting from Mn to Zn. Both the TM dopant and the vacancy type contribute to adsorption tendency. In addition, site-specific chemisorption is revealed. The magnetic behaviour of the adsystems is also interesting. In particular, FeSV, ZnSV and NiSV become magnetic after all three end-type adductions. L-Cysteine adsorption induced distribution of the increasing number of 3d electrons and TM-C interactions could account for the magnetism mechanism. Interesting magnetization patterns of MSVs and MDVs occur in most magnetic chemisorbed systems, exhibiting different mirror symmetries. This study could facilitate applications of TM doped graphenes in biosensing, biomolecule immobilization, magnetic bioseparation and other fields in bionanotechnology.
机译：探索过渡金属（TM）掺杂石墨烯在生物分子吸附中的潜在应用具有与纳米二生物技术的基本相关性。在此，使用密度官能理论计算，研究了在第一行过渡金属（SC-Zn）掺杂的单空间和双空位石坯（MSV和MDV）上的L-半胱氨酸吸附。考虑了三种类型的直立吸附配置，通过未经促进的S-END，O末端和N末端官能团。所有MSVS化学吸附L-半胱氨酸，没有常规变化趋势。 MDVS显示从V到CO的化学吸收，然后从Ni到Zn的出现出现。 L-半胱氨酸对MDV的吸附比MSV在MDV上的吸附，从Mn到Zn开始。 TM掺杂剂和空位类型都有助于吸附倾向。此外，揭示了特异性化学化学。 Adsystems的磁性行为也很有趣。特别是，FESV，ZnSV和NISV在所有三个终端型坯术后变得磁性。 L-半胱氨酸吸附诱导越来越多的3D电子和TM-C相互作用的分布可能考虑磁机制。 MSV和MDV的有趣磁化模式在大多数磁性化学化学系统中发生，具有不同的镜面对称。该研究可以促进TM掺杂石墨烯在生物传感，生物分子固定，磁性生物分离和其他脑电图中的其他领域的应用。

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  • 来源
    《RSC Advances》 |2016年第35期|共10页
  • 作者

    Luo Huijuan; Li Hejun; Xia Zhenhai; Chu Yanhui; Zheng Jiming; Hou Zhengxiong; Fu Qiangang;

  • 作者单位

    Northwestern Polytech Univ Carbon Carbon Composites Res Ctr State Key Lab Solidificat Proc Xian 710072 Peoples R China;

    Northwestern Polytech Univ Carbon Carbon Composites Res Ctr State Key Lab Solidificat Proc Xian 710072 Peoples R China;

    Univ N Texas Dept Chem Denton TX 76203 USA;

    Northwestern Polytech Univ Carbon Carbon Composites Res Ctr State Key Lab Solidificat Proc Xian 710072 Peoples R China;

    NW Univ Xian Natl Key Lab Photoelect Technol &

    Funct Mat Cultu Inst Photon &

    Phototechnol Xian 710069 Peoples R China;

    Northwestern Polytech Univ High Performance Comp Ctr Xian 710072 Peoples R China;

    Northwestern Polytech Univ Carbon Carbon Composites Res Ctr State Key Lab Solidificat Proc Xian 710072 Peoples R China;

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