在分层的中稳定晶格氧氧氧化还原转换金属氧化物通过旋转单元状态
Xuelong Wang1,2, Liang Yin2,3, Arthur Ronne1,4
1Chemistry Division, Brookhaven National Laboratory, Upton, NY, 11973, USA.
Nature communications
|November 23, 2023
概括
这项研究表明,在P3型Na2/3Cu1/3Mn2/3O2阴极中,稳定,非歇斯底里氧氧还氧反应通过形成单旋状态,对先进的电池开发至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 固态化学 固态化学
背景情况:
- 可逆的晶格氧氧氧还氧反应是高能量密度电池的关键.
- 挑战包括电压歇斯底里和不良稳定性,阻碍了采用.
- P3型层氧化物是有前途的阴极材料.
研究的目的:
- 为了在P3型Na2/3Cu1/3Mn2/3O2中实现稳定的非歇斯底里氧氧还氧反应.
- 阐明稳定氧氧氧还原活性背后的机制.
- 探索电池阴极的替代充电补偿路径.
主要方法:
- 在循环过程中进行结构分析的现场X射线衍射.
- 在现场和现场的X射线吸收光谱 (XAS) 用于电子结构.
- 密度函数理论 (DFT) 计算用于机械洞察力.
主要成果:
- 在氧氧还氧反应中证明了非歇斯底里和长期稳定性.
- 观察到可逆结构变化和持续的CuO Jahn-Teller扭曲.
- 确定了两个电荷补偿机制,包括一个类似于张-的单元状态在3.99V.
结论:
- 旋转单点状态形成稳定可逆氧氧还氧反应.
- P3型Na2/3Cu1/3Mn2/3O2阴极为高性能电池提供了一个可行的途径.
- 了解这些机制可以指导未来电池材料的设计.
更多相关视频
相关概念视频
Colors and Magnetism
11.7K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
11.7K
Ladder Diagrams: Redox Equilibria
460
Ladder diagrams are useful tools for understanding redox equilibrium reactions, especially the effects of concentration changes on the electrochemical potential of the reaction. The vertical axis in the redox ladder diagrams represents the electrochemical potential, E. The area of predominance is demarcated using the Nernst equation.
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
460
Valence Bond Theory
8.6K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.6K
Trends in Lattice Energy: Ion Size and Charge
23.9K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
23.9K
Oxidation Numbers
37.2K
In redox reactions, the transfer of electrons occurs between reacting species. Electron transfer is described by a hypothetical number called the oxidation number (or oxidation state). It represents the effective charge of an atom or element, which is assigned using a set of rules.
37.2K
Properties of Transition Metals
26.0K
Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
26.0K


