Method for effectively improving serine separating capacity of copper surfaces by means of surface modification

Abstract

The invention discloses a method for effectively improving the serine isomer distinguishing capacity of metal surfaces. The method includes steps of acquiring pure Cu (531) surfaces from copper bulk phases; optimizing the structures of the Cu (531) surfaces by the aid of DFT (density functional theory) calculation processes to obtain lattice constants of the Cu (531) surfaces; constructing chiral molecular serine and structurally optimizing the chiral molecular serine; respectively placing optimized serine isomers at diversified locations of the optimized Cu (531) surfaces and optimizing the structures of the Cu (531) surfaces; checking optimization results and finding out structures capable of stably existing; determining difference values delta E of absorption energy of the left and right chiral serine (L and D) on Cu (531) so as to obtain the difference of the left and right chiral serine in the aspect of the absorption energy. The metal surfaces are good in separating capacity along with increase of the difference of the left and right chiral serine. The method has the advantages that the novel and accurate DFT calculation processes are utilized and are combined with experimental data, Ni doping surface treatment is carried out on the Cu (531), and accordingly the serine isomer distinguishing capacity of bimetal surfaces can be improved by 36% as compared with pure copper surfaces.

Description

technical field [0001] The invention relates to the field of adsorption of chiral amino acids on metal bases, in particular to a design method for enhancing the separation ability of serine on surface-modified copper surfaces. Background technique [0002] Serine (serine) is an amino acid that helps maintain the immune system, and is also an important chiral organic molecule in the pharmaceutical industry. Left-handed and right-handed enantiomers, left-handed and right-handed optical isomers have similar physical and chemical properties in the gas phase, and left-handed and right-handed chiral molecules have almost the same energy and are difficult to distinguish. But one enantiomer of serine is therapeutically beneficial while the other is harmful, so it is extremely important to separate the enantiomers of serine correctly. [0003] During self-assembly growth of chiral molecules interacting with metal substrates, the left and right enantiomers have completely different g...

AI Technical Summary

Problems solved by technology

[0005] Aiming at the deficiencies of the prior art, the present invention provides a design method for enhancing the separation ability of serine on a surface-modified copper surface, which can solve the problem of insufficient ability to separate and distinguish chiral amino acids from metal substrates

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