High-capacity long-service-life AB<4.5> type hydrogen storage alloy and preparation method thereof

An AB4.5, hydrogen storage alloy technology, applied in electrical components, circuits, battery electrodes, etc., can solve problems such as difficult to lose metal hydrides, low discharge capacity, etc.

Active Publication Date: 2018-09-28
JILIN UNIV
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  • Application Information

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Problems solved by technology

However, high capacity and long cycle life cannot be achieved at the same time, because the higher the electronegativity,

Method used

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  • High-capacity long-service-life AB&lt;4.5&gt; type hydrogen storage alloy and preparation method thereof
  • High-capacity long-service-life AB&lt;4.5&gt; type hydrogen storage alloy and preparation method thereof
  • High-capacity long-service-life AB&lt;4.5&gt; type hydrogen storage alloy and preparation method thereof

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Experimental program
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Effect test

Embodiment approach

[0049] An AB with both high capacity and long life 4.5 A method for preparing a type hydrogen storage alloy, comprising the steps of:

[0050] a. DFT simulation calculations are performed using Vienna ab initio Simulation Package (VASP) software; the exchange-correlation function is a PBE functional based on generalized gradient approximation; in order to consider the van der Waals interaction between atoms, DFT-D3 dispersion based on Becke-Jonson damping is used ;Aiming at the interaction between ions and electrons, the plane wave projection method is used to describe;

[0051] b. The cut-off energy of the plane wave basis set is 400eV, and the convergence criterion of the electronic self-consistent field iteration is 10 -5 eV, the convergence criterion for atomic geometry optimization is

[0052] c. According to the Monkhorst-Pack method, the Brillouin zone is divided into 3×3×1 K-point grids; in order to speed up the convergence of the electronic self-consistent field i...

Embodiment

[0057] The preparation process and steps in this embodiment are as follows:

[0058] (1) Using the DFT method to construct LaNi when Mg atoms replace different Ni atom positions 5 Alloy configuration, set calculation parameters, calculate energy and energy changes of different systems;

[0059] (2) According to La 0.62 Mg 0.08 Ce 0.2 Y 0.1 Ni 3.25 co 0.75 mn 0.2 Al 0.3 The chemical ratio is used for batching, and lanthanum, cerium, yttrium, magnesium, nickel, cobalt, manganese, and aluminum with a purity ≥ 99.5 are smelted by vacuum induction melting in a high-purity argon atmosphere to obtain ingots. The ingot is then kept at 1000°C for 5 hours under an argon protective atmosphere, and then quickly cooled with the furnace fan to ensure that the furnace temperature drops below 500°C within 5 minutes. Finally, the annealed alloy is powdered under the protection of inert gas or low-temperature liquid nitrogen, and the alloy powder with an average particle size of 45-55 ...

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Abstract

The invention relates to high-capacity long-service-life AB<4.5> type hydrogen storage alloy and a preparation method thereof. By adjusting and controlling the stoichiometric ratio and the Mg contentof AB<5> type hydrogen storage alloy, the effect that Mg accurately replaces Ni atoms in the alloy is achieved. Through a density functional theory method, that is, the DFT method, the rationality ofalloy design is verified. According to the high-capacity long-service-life AB4.5 type hydrogen storage alloy and the preparation method thereof, under guidance of the density functional theory, the high-capacity long-service-life AB4.5 type hydrogen storage alloy is designed and prepared, the capacity of the prepared alloy reaches 326.7 mAh g<-1>, and the cycle life is 928 frequencies and is almost two times that of traditional commercial hydrogen storage alloy; the cost reduction purpose is achieved by prolonging the cyclic life of the hydrogen storage alloy, meanwhile, the capacity of the alloy is improved, and the effect that the alloy is applied to nickel-metal hydride batteries is hopefully achieved.

Description

technical field [0001] The invention belongs to the technical field of high-performance hydrogen storage alloys. Background technique [0002] Due to the continuous development of new energy storage devices, such as lithium-ion batteries, supercapacitors, etc., the development of high-performance hydrogen storage alloys can continuously improve the market competitiveness of nickel-metal hydride batteries, especially the discharge capacity and cycle life of alloys need to be improved. According to our recent research results, the main factor affecting the cycle life of hydrogen storage alloys is the electronegativity of elements. For example, replacing La in hydrogen storage alloys with high electronegativity Y can significantly improve the cycle life of the alloys. However, high capacity and long cycle life cannot be achieved at the same time, because the higher the electronegativity, the harder it is for metals to lose electrons to form stable metal hydrides, thus exhibitin...

Claims

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Application Information

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IPC IPC(8): C22C19/03C22C1/02C22F1/10C22F1/02H01M4/38
CPCC22C1/023C22C19/03C22F1/02C22F1/10H01M4/383Y02E60/10
Inventor 杨春成陈莹王常春周亦彤文子赵明李建忱蒋青
Owner JILIN UNIV
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