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    Home > New progress has been made in the theoretical study of oer intermediate state in oxygen evolution reaction of lithium rich materials

    New progress has been made in the theoretical study of oer intermediate state in oxygen evolution reaction of lithium rich materials

    • Last Update: 2019-12-25
    • Source: Internet
    • Author: User
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    Lithium-ion battery rich in lithium manganese based cathode material is the next generation of high energy density cathode material system, which has attracted a large number of scholars to carry out basic application research in academic and industrial fields However, based on the charge compensation mechanism of traditional transition metal cation redox reaction, it is impossible to give a reasonable explanation from the chemical source for the corresponding ultra-high capacity of lithium in lithium rich materials In 2013, the co redox mechanism of cation and anion was proposed, which pointed out a new direction for the research of lithium rich materials, and thus produced a new chemical concept: a new type of oxygen evolution reaction (OER) In this kind of bulk materials, researchers are full of doubts about whether lattice oxygen ions can be transformed into oer intermediate state and the basic structural characteristics of the intermediate state, and have launched a heated debate Recently, Chen Zhenlian, associate researcher and Li Jun, researcher of Ningbo Institute of materials technology and engineering, Chinese Academy of Sciences, and Zeng Xiaocheng, Professor of University of Nebraska Lincoln, have carried out cooperative research Based on the high-throughput Madelung matrix screening method developed in the early stage, through the first principle calculation, the intermediate products (peroxygen like / superoxide radical, O2 δ) of this oer are pointed out- )The formation of lithium chemical conditions, the establishment of the transition metal oxygen (tm-o 2 δ -) geometry classification, clearly and systematically revealed the lithium-ion battery rich lithium oxide lattice in the new form of oxygen ions Relevant research results were published in J am Chem SOC (DOI: 10.1021 / JACS 9b03710) under the title of "unraveling oxygen evolution in Li rich oxides: a unified modeling of the intermediate peroxo / superoxide like dimers" This work was supported by the national key R & D plan (2018yfb0704300), the national public education program and the Ningbo innovation team project (2016b10005).
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