Method for screening electrolytic copper foil additive through density function theory

Abstract

The invention belongs to the field of electrolytic copper foils, and discloses a method for screening an electrolytic copper foil additive through a density function theory in order to solve the problems that the electrolytic copper foil additive can greatly improve the mechanical property and even the electrochemical property of the electrolytic copper foils and the electrolytic copper foil additive cannot be efficiently and effectively screened in the prior art. The adsorption energy of functional groups, metal copper and the specific crystal face of a cathode roller is calculated, the adsorbability of the metal copper and the specific crystal face of the cathode roller is judged according to the absolute value of the adsorption energy, and the functional groups are subjected to functional classification according to the adsorbability; and the additive is screened on the basis of the functional classification. According to the method, firstly, a large number of functional groups can be efficiently screened; secondly, effect classification is conducted on the functional groups, corresponding technical effects can be achieved by summarizing the functional groups, and the functional groups are classified; and thirdly, additives can be rapidly screened through functional group classification so that specific performance strengthening of the electrolytic copper foils can be achieved.

Description

technical field [0001] The invention belongs to the field of electrolytic copper foil, and in particular relates to a method for screening additives of electrolytic copper foil using density function theory. Background technique [0002] Electrolytic copper foil is a kind of metal foil, which is an important raw material in the electronics and electrical industries. It is mainly used in the production of copper clad laminates, printed circuit boards and lithium batteries. With the miniaturization of electronic devices, the continuous development of printed circuit surface mount technology, and the increasing demand for multilayer printed circuit boards, less defects, fine grains, lower roughness, high strength, good ductility, and ultra-thin high performance Electrolytic copper foil will be widely used. [0003] The performance of electrolytic copper foil mainly depends on their structure and impurity content. To obtain high-quality copper foil, it is necessary to strictly ...

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Problems solved by technology

[0005] In order to solve the problem that the electrolytic copper foil additive can greatly improve the mechanical properties and even the electrochemical properties of the electrolytic copper foil, but the existing technology cannot realize the efficient and effective screening of the electrolytic copper foil additive, the present invention provides a screening method using the density function theory Electrolytic Copper Foil Additive Method

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