高性W6+离子提升Cr2+在CrWO中的活性,以实现理想的水氧化
Chanseok Kim1, Dasom Jeon1, Nayeong Kim1
1Department of Energy Engineering, School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulju-gun, Ulsan, 44919, Republic of Korea.
Small (Weinheim an der Bergstrasse, Germany)
|March 28, 2024
概括
像W6+这样的高价值离子在多价值氧化物中电子隔离催化中心,增强氧演化反应 (OER). 这一发现使得探索新的OER催化剂能够超越传统的Ni-和CO-氧化物.
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
- 计算化学计算化学
背景情况:
- 氧化演化反应 (OER) 的多价金属氧化物中的电催化活性是由金属元素之间的复杂相互作用驱动的.
- 虽然已知高价值金属离子对催化中心的影响,但对它们对催化效率的影响的详细原子级理解仍然难以捉摸.
研究的目的:
- 调查OER多价金属氧化物的电催化效率背后的原子尺度机制.
- 探索高价值离子在调节催化中心电子结构中的作用.
- 为高效的OER确定新型催化剂材料.
主要方法:
- 密度函数理论 (DFT) 的预测被用来建模电子相互作用.
- 进行实验验证以验证理论发现.
- 该研究的重点是具有MWO4一般公式的多价氧化物,其中M代表各种过渡金属 (Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn).
主要成果:
- 发现了催化3d金属中心 (M2+) 的"电子隔离"的新奇现象,由周围的高价值W6+离子诱导.
- 具有d0电子配置的W6+离子有效地阻断了电子转移到催化M2+离子,形成了孤立的活性点.
- 这种电子隔离减轻了OER中间体的强大的结合能,特别是基于Cr的氧化物,从而提高了OER的性能.
结论:
- 利用像W6+这样的"电子隔离器"为设计高效的OER电催化剂提供了一个新的策略.
- 这种方法扩大了潜在的OER催化剂材料的范围,超出了传统的Ni-和CO-氧化物,包括Cr和Mn等元素.
- 这些发现提供了对用于催化的多价氧化物中电子效应的基本理解.
相关概念视频
03:00Electrolysis
26.3K
In a galvanic cell, the electrical work is done by a redox system on its surroundings as electrons produced by the spontaneous redox reactions are transferred through an external circuit. Alternatively, an external circuit does work on a redox system by imposing a voltage sufficient to drive an otherwise nonspontaneous reaction in a process known as electrolysis. For instance, recharging a battery involves the use of an external power source to drive the spontaneous (discharge) cell reaction in...
26.3K
01:24Redox Reactions
55.6K
Oxidation-reduction or redox reactions involve the transfer of electrons from one molecule or atom to another. When an atom gains an electron, another atom must lose an electron, meaning oxidation and reduction must occur together. Since the redox occurs in pairs, the atom that gets oxidized is also called the reducing agent or reductant, and the atom that is reduced is also called the oxidizing agent or oxidant. A straightforward way to remember the definitions of oxidation and reduction is...
55.6K
02:58Properties of Transition Metals
25.8K
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.
25.8K
01:23Redox Equilibria: Overview
564
A reduction-oxidation reaction is commonly called a redox reaction. In a redox reaction, electrons are transferred from one species to another rather than being shared between or among atoms. The reducing agent or reductant is the species that loses electrons and gets oxidized in the process. The species that gains electrons and gets reduced in the process is the oxidizing agent or oxidant. Redox reactions are represented as two separate equations called half-reactions, where one equation...
564
03:11Oxidation-Reduction Reactions
64.9K
Oxidation–Reduction Reactions
64.9K
02:58Crystal Field Theory - Octahedral Complexes
26.4K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.4K