相关实验视频
Updated: Jul 4, 2025

06:58
Zinc-Sponge Battery Electrodes that Suppress Dendrites
Published on: September 29, 2020
4.3K
在阳极表面对进化反应的基本理解:一项第一原则研究
Xiaoyu Liu1, Yiming Guo1, Fanghua Ning2
1Institute for Sustainable Energy & Department of Chemistry, Shanghai University, Shanghai, 200444, People's Republic of China.
Nano-micro letters
|February 6, 2024
概括
澄清了离子电池中的演化反应 (HER). 表面的通用协调数被确定为 HER 活动的关键描述符,指导阳极稳定性改进.
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:
- 演变反应 (HER) 显著影响水性离子电池循环稳定性.
- 在表面的HER的基本机制仍然不完全理解.
研究的目的:
- 在各种晶表面上研究 HER 的机制.
- 确定 HER 活动的关键描述符,以提高电池性能.
主要方法:
- 基于密度函数理论 (DFT) 的第一原则计算.
- 对不同Zn晶体表面的反应动力学分析 (002, 100, 101, 102, 103).
主要成果:
- 沃尔默步骤限制HER在Zn (002) 和 (100) 表面上;Tafel步骤限制HER在Zn (101), (102) 和 (103) 表面上.
- 她的活动与表面 Zn 原子的概括协调数 ([公式:见文本]) 相对应.
- 原子不均的Zn (002) 表面由于减少的[公式:见文本]而表现出更高的HER活性.
结论:
- 表面 Zn 原子的通用协调数 ([公式:见文本]) 是 HER 活动的关键描述符.
- 调整表面 Zn 原子协调提供了一种抑制 HER 和改善 Zn 阳极稳定的策略.
- 提供了理解和控制 Zn 阳极上的 HER 的理论基础.
相关概念视频
Calculating Standard Free Energy Changes
21.3K
The free energy change for a reaction that occurs under the standard conditions of 1 bar pressure and at 298 K is called the standard free energy change. Since free energy is a state function, its value depends only on the conditions of the initial and final states of the system. A convenient and common approach to the calculation of free energy changes for physical and chemical reactions is by use of widely available compilations of standard state thermodynamic data. One method involves the...
21.3K
Standard Electrode Potentials
43.9K
On comparing the reactivity of silver and lead, it is observed that the two ionic species, Ag+ (aq) and Pb2+ (aq), show a difference in their redox reactivity towards copper: the silver ion undergoes spontaneous reduction, while the lead ion does not. This relative redox activity can be easily quantified in electrochemical cells by a property called cell potential. This property is commonly known as cell voltage in electrochemistry, and it is a measure of the energy which accompanies the charge...
43.9K
Electrolysis
26.4K
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...
26.4K
Reduction of Alkenes: Catalytic Hydrogenation
12.0K
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
12.0K
Catalysis
26.9K
The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
26.9K
The Z-Scheme of Electron Transport in Photosynthesis
10.1K
The light reactions of photosynthesis assume a linear flow of electrons from water to NADP+. During this process, light energy drives the splitting of water molecules to produce oxygen. However, oxidation of water molecules is a thermodynamically unfavorable reaction and requires a strong oxidizing agent. This is accomplished by the first product of light reactions: oxidized P680 (or P680+), the most powerful oxidizing agent known in biology. The oxidized P680 that acquires an electron from the...
10.1K

