溶剂和A位点阴离子控制 在基矿薄膜中首选的结晶学定向
Juanita Hidalgo1, Yu An1, Dariia Yehorova2
1School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.
概括
控制化 PeroVskites 的晶体方向是有效的太阳能电池的关键. 溶剂和有机离子如甲基显著影响薄膜的方向和性能.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 可再生能源是可再生能源的来源.
背景情况:
- 首选的结晶学方向对于矿和半导体薄膜中的电荷传输至关重要.
- 控制化矿偏向的机制尚不清楚.
研究的目的:
- 调查影响化 Perowskites 的结晶学方向的因素.
- 阐明前体溶剂和有机A位点的作用.
主要方法:
- 对化 PeroVskite 薄膜进行实验研究.
- 对溶剂 (二甲基硫) 对结晶的作用的分析.
- 甲基和甲基A位子的比较.
- 密度函数理论 (DFT) 对表面能量的计算.
主要成果:
- 甲基硫氧化物溶剂防止了体相互作用,促进了首选的方向.
- 甲基离子诱导的偏好方向高于formamidinium.
- DFT揭示了甲基矿矿的较低 (100) 表面能量,解释了首选的方向.
- A位点离子对离子密度和歇斯底里产生影响,但对离子扩散没有显著影响.
结论:
- 溶剂和A位点阳离子的相互作用决定了化 PeroVskite 的晶体方向.
- 定向控制对于优化矿太阳能电池中的电子特性和离子迁移至关重要.
相关概念视频
VSEPR Theory and the Effect of Lone Pairs
42.5K
Effect of Lone Pairs of Electrons on Molecule Geometry
42.5K
Radical Substitution: Allylic Bromination
5.2K
In organic synthesis, the formation of products can be altered by changing the reaction conditions. For example, a dibromo addition product is formed when propene is treated with bromine at room temperature. In contrast, propene undergoes allylic substitution in non-polar solvents at high temperatures to give 3-bromopropene. In order to avoid the addition reaction, the bromine concentration must be kept as low as possible throughout the reaction. This can be achieved using N-bromosuccinimide...
5.2K
Ionic Crystal Structures
14.5K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.5K
Halogenation of Alkenes
15.8K
Halogenation is the addition of chlorine or bromine across the double bond in an alkene to yield a vicinal dihalide. The reaction occurs in the presence of inert and non-nucleophilic solvents, such as methylene chloride, chloroform, or carbon tetrachloride.
Consider the bromination of cyclopentene. Molecular bromine is polarized in the proximity of the π electrons of cyclopentene. An electrophilic bromine atom adds across the double bond, forming a cyclic bromonium ion intermediate.
Consider the bromination of cyclopentene. Molecular bromine is polarized in the proximity of the π electrons of cyclopentene. An electrophilic bromine atom adds across the double bond, forming a cyclic bromonium ion intermediate.
15.8K
Precipitation of Ions
28.0K
Predicting Precipitation
The equation that describes the equilibrium between solid calcium carbonate and its solvated ions is:
The equation that describes the equilibrium between solid calcium carbonate and its solvated ions is:
28.0K


