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Graphdiyne as a promising material for detecting amino acids.

Chen X, Gao P, Guo L, Zhang S - Sci Rep (2015)

Bottom Line: 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.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.

View Article: PubMed Central - PubMed

Affiliation: Department of Applied Physics, School of Science, Xi'an Jiaotong University, Xi'an, China.

ABSTRACT
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.

No MeSH data available.


Related in: MedlinePlus

(a) The sketch of the absorption spectrum measurement for GD-AA. (b) The imaginary part of the dielectric function ε2∥ of pure GD, GD-Gly, GD-Glu, GD-His and GD-Phe.
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f3: (a) The sketch of the absorption spectrum measurement for GD-AA. (b) The imaginary part of the dielectric function ε2∥ of pure GD, GD-Gly, GD-Glu, GD-His and GD-Phe.

Mentions: In this section, the photon absorption spectra of GD with and without AA adsorption are investigated. For two-dimensional materials, the absorption spectrum detection is usually performed with the light beam perpendicular to the material (Fig. 3(a)), i.e. the photon polarization direction is parallel to the material. The calculated imaginary part of the dielectric function ε2∥ of pure GD, GD-Gly, GD-Glu, GD-His and GD-Phe are plotted in Fig. 3(b). For GD-AA systems, the calculations were all performed for the most stable configurations. For pure GD and GD-AA systems, the optical absorption spectra are characterized by three peaks around 0.9, 2.1, and 4.3 eV (Table 3). The first peak originates from the transitions around the band gap, and the other two result from the transitions between the peak values of DOS (shown by arrows in Fig. 2(a)). The shape of our optical spectra is close to ref. 44. According to the results (Fig. 3(b)), we see that the optical properties of GD-AA are different from the optical properties of pure GD. The AA molecules depress the three photon absorption peaks and make the first one blue-shifted and the other two red-shifted. The first absorption peaks of the GD-Gly, GD-Glu, GD-His and GD-Phe systems are located in the photon energy of 0.93~0.94 eV, and are depressed by 4.6%, 3.9%, 6.1% and 2.7%, respectively. The second absorption peaks of the GD-Gly, GD-Glu, GD-His and GD-Phe systems are located in the photon energy of 2.06~2.07 eV, and they are depressed by 6.1%, 2.5%, 7.5% and 2.3%, respectively. The third absorption peaks of the GD-Gly, GD-Glu, GD-His and GD-Phe systems are located in the photon energy of 4.23~4.24 eV, and are depressed by 6.7%, 5.1%, 6.5% and 3.8%, respectively. Such depressions of photon absorption peaks may be caused by the bending of GD induced by the AA molecules. For GD-Phe, the extra peak at 5.24 eV should be attributed to the characteristic absorption of the benzene ring. In summary, the obvious change in the photon absorption spectra of GD-AA systems should be used as a detection technique for AA molecules.


Graphdiyne as a promising material for detecting amino acids.

Chen X, Gao P, Guo L, Zhang S - Sci Rep (2015)

(a) The sketch of the absorption spectrum measurement for GD-AA. (b) The imaginary part of the dielectric function ε2∥ of pure GD, GD-Gly, GD-Glu, GD-His and GD-Phe.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4644954&req=5

f3: (a) The sketch of the absorption spectrum measurement for GD-AA. (b) The imaginary part of the dielectric function ε2∥ of pure GD, GD-Gly, GD-Glu, GD-His and GD-Phe.
Mentions: In this section, the photon absorption spectra of GD with and without AA adsorption are investigated. For two-dimensional materials, the absorption spectrum detection is usually performed with the light beam perpendicular to the material (Fig. 3(a)), i.e. the photon polarization direction is parallel to the material. The calculated imaginary part of the dielectric function ε2∥ of pure GD, GD-Gly, GD-Glu, GD-His and GD-Phe are plotted in Fig. 3(b). For GD-AA systems, the calculations were all performed for the most stable configurations. For pure GD and GD-AA systems, the optical absorption spectra are characterized by three peaks around 0.9, 2.1, and 4.3 eV (Table 3). The first peak originates from the transitions around the band gap, and the other two result from the transitions between the peak values of DOS (shown by arrows in Fig. 2(a)). The shape of our optical spectra is close to ref. 44. According to the results (Fig. 3(b)), we see that the optical properties of GD-AA are different from the optical properties of pure GD. The AA molecules depress the three photon absorption peaks and make the first one blue-shifted and the other two red-shifted. The first absorption peaks of the GD-Gly, GD-Glu, GD-His and GD-Phe systems are located in the photon energy of 0.93~0.94 eV, and are depressed by 4.6%, 3.9%, 6.1% and 2.7%, respectively. The second absorption peaks of the GD-Gly, GD-Glu, GD-His and GD-Phe systems are located in the photon energy of 2.06~2.07 eV, and they are depressed by 6.1%, 2.5%, 7.5% and 2.3%, respectively. The third absorption peaks of the GD-Gly, GD-Glu, GD-His and GD-Phe systems are located in the photon energy of 4.23~4.24 eV, and are depressed by 6.7%, 5.1%, 6.5% and 3.8%, respectively. Such depressions of photon absorption peaks may be caused by the bending of GD induced by the AA molecules. For GD-Phe, the extra peak at 5.24 eV should be attributed to the characteristic absorption of the benzene ring. In summary, the obvious change in the photon absorption spectra of GD-AA systems should be used as a detection technique for AA molecules.

Bottom Line: 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.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.

View Article: PubMed Central - PubMed

Affiliation: Department of Applied Physics, School of Science, Xi'an Jiaotong University, Xi'an, China.

ABSTRACT
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.

No MeSH data available.


Related in: MedlinePlus