期刊
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
卷 127, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.physe.2020.114498
关键词
Graphene; Germanene; Amino acids; Dispersion-corrected density functional theory; Adsorption characteristics
资金
- Ferdowsi University of Mashhad [3/44296]
- Ministry of Science, Research and Technology of Iran
- Swedish Research Council [2016-05366]
- Swedish Research Links programme grant [2017-05447]
- Vinnova [2016-05366] Funding Source: Vinnova
- Swedish Research Council [2017-05447, 2016-05366] Funding Source: Swedish Research Council
The study explored the interaction of five different amino acid molecules with graphene and germanene monolayers using dispersion-corrected density functional theory. It was found that arginine forms the most stable complexes and germanene shows higher sensitivity to amino acids, indicating potential use in bio-integrated electronic devices.
In the present study, we have explored the interaction of five distinct kinds of amino acid molecules namely, arginine (Arg), aspartic acid (Asp), alanine (Ala), asparagine (Asn) and histidine (His) with graphene and germanene monolayers employing dispersion-corrected density functional theory. The dispersion correction incorporated in the computational methodology improves the accuracy of the results by taking into account the long range van der Waals interactions between the adsorbent and adsorbate. Using this method, the equilibrium configuration, energetic, electronic and optical properties of amino acids adsorbed on substrate have systematically been found. It is also found that arginine makes the most stable complexes with graphene and germanene in comparison to the other amino acids used in this study. Compared to graphene, germanene shows higher sensitivity to amino acids indicating that germanene monolayers can be useful for bio-integrated electronic devices.
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