The invention discloses a high-
lithium-affinity Cu2O material, a
screening method and application, and relates to the technical field of
electrode materials. Comprising the following steps: taking a
copper source, an alkaline precipitator and a
reducing agent as raw materials, adopting a
liquid phase reduction method, inducing growth of different
crystal faces by changing the concentration of a precipitator solution, preparing Cu2O materials with different
crystal face orientations, adopting a
density functional theory for
simulation, calculating
binding energy of different
crystal faces of the prepared Cu2O materials and a single
lithium atom, and calculating the
lithium atom binding energy of the single
lithium atom. The crystal face with the strongest
binding energy is screened out, so that the Cu2O material with the high lithium affinity is obtained through screening; according to the method, growth of different crystal faces is induced by regulating and controlling the concentration of a precipitant solution, Cu2O materials with different crystal face orientations are prepared, the optimal crystal
face orientation is screened out by combining theoretical calculation, and therefore the high-lithium-affinity Cu2O material is obtained through screening, and it is proved through electrochemical test empirical analysis that the
screening method is correct and effective.