A solution to the gas-filling problem of the next-generation long-distance battery1) has emerged.
A team led by Professor Lee Hyun-wook of UNIST’s Department of Energy and Chemical Engineering has identified the cause of Oxygen generation in olig Lithium of a new anode material for batteries and presented material design principles to solve this problem.
Overlithium materials can theoretically store 30% to 70% more energy in batteries than before through high-pressure charging of 4.5V or higher. In terms of electric vehicle mileage, you can go up to 1,000 kilometers on a single charge. However, this material has a problem of increasing the risk of explosion as Oxygen (O-2) held inside the material is oxidized and released as gas (O2) during the actual high-pressure charging process.
The research team analyzed that Oxygen is oxidized near 4.25V, causing partial structural deformation and releasing Oxygen gas. They proposed an electrode material design method that fundamentally prevents the oxidation of Oxygen. This strategy involves replacing some of the transition metals2) of Lithium materials with transition metal elements with lower electronegativity.
The difference in electronegativity between the two metal elements causes the number of available electrons in the transition metal to increase, and Oxygen does not oxidize when electrons are concentrated around the highly electronegativity element. On the other hand, when the number of available electrons in the transition metal is insufficient, Oxygen gives electrons instead. It is oxidized to be discharged in the form of a gas.
The first author, Kim Min-ho (Currently a postdoctoral researcher at UCLA), explained “the difference between existing research that has focused on stabilizing Oxygen and preventing it from being discharged in the form of gas, whereas present research has focused on preventing the oxidizing process itself.”
In addition, this change in electron density increases the charging voltage through an Inductive Effect3), thereby increasing the high energy density attainable. Since the energy density is proportional to the number of available electrons and the charging voltage, it is possible to store more energy per unit weight of the battery to replace the transition metal. This phenomenon is similar to the principle that if there’s more water in the dam and the drop is more significant, more energy is stored.
The researchers experimentally confirmed the transition metal substitution strategy’s inhibitory effect on Oxygen oxidation. Accelerator-based X-ray analysis showed that the generation of Oxygen gas was significantly reduced when a part of Ruthenium was replaced with Nickel. Furthermore, they theoretically demonstrated that charge rearrangement occurs through density functional calculation (DFT).
This study was conducted by Professor Seo Dong-hwa of KAIST, Chung-Ang University, Pohang Accelerator Laboratory, Professor Yu Zhang Li of UCLA, UC Berkeley, and Lawrence Berkeley Research Institute. The accelerator-based X-ray analysis was conducted by Professor Jang Hae-sung of Chung-Ang University (Co-first author), and the DFT theoretical calculation was led by Dr. Lee Eun-ryul (Co-first author) of the Lawrence Berkeley Institute in the United States.
Professor Lee Hyun-wook said, “We presented the direction of material development to cathode material researchers by librarying technology through various experiments and theoretical analysis,” adding, “It will help to develop long-distance driving battery materials without explosions with increased energy density.”
The study was carried out with the support of the National Research Foundation of Korea (NRF)’s international cooperation and development project on source technology. The results were published online on Feb. 19 in ‘Science Advances’, a sister paper of the world-renowned journal ‘Science’ published by the American Science Association (AAAS).
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