Modulation of L-cysteine adsorption on graphene: the role of the Al, Si,
P, S dopant and the vacancy
Abstract
Promoting the application potential of graphenes in biomolecule
adsorption and detection is of great significance in the field of
nanobiotechnology. In this paper, the density functional theory
calculation was used to study the adsorption and sensing of L-cysteine
on graphene-based compounds, single-vacancy and double-vacancy graphenes
(XSV and XDV) doped with 3p-bolck elements (Al, Si, P, and S). Along
with the dopant changing from Al to S, XSV exhibits decreasing
exothermical chemisorption to endothermical chemi-sorption, while XDV
exhibits decreasing exothermical chemisorption to endothermical
physisorption. L-cysteine adsorption on XDV is weaker than corresponding
adsorption on XSV. Valence electron number, and atomic ionization
potential, modulated by the 3p-block dopant, and X-C interaction,
modulated by the vacancy type, contribute to adsorption mechanism of
L-cysteine on XGs. The study could facilitate applications of Al, Si, P
and S doped graphenes in biosensing technology, biomolecule
immobilization, bioseparation and other fields.