用于高性能电容器的扭曲的hexa-peri-benzocoronene基结合金属有机框架的替代模拟
Wansheng Liu1, Yue Li1, Liyao Liu1
1Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.
Angewandte Chemie (International ed. in English)
|March 25, 2025
概括
研究人员为超级电容器开发了新的替代的2D合金属有机框架 (2D c-MOF). 这种新设计实现了创纪录的特定电容,提高了储能性能.
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
- 纳米技术 纳米技术
背景情况:
- 二维联金属有机框架 (2D c-MOFs) 是新兴的晶体导电材料,具有类似石墨的结构.
- 开发为先进应用量身定制的导电性质的二维c-MOF仍然是一个重大挑战.
- 超级电容器需要高效的电极材料来进行高性能储能.
研究的目的:
- 设计和合成具有扭曲形状和替代物调制结构的新型2D c-MOF,以提高电容器性能.
- 研究分子设计,包括素替代,对二维c-MOF的导电性和电容性的影响.
- 引入基于2D c-MOFs的高性能储能材料的新分子设计策略.
主要方法:
- 合成了一种新型连接体,八氧-六-四-子 (HBCOH),具有扭曲的石墨烯纳米板核心.
- 使用合成的配体制造一种用代替的2D c-MOF,FHBCOH-Cu.
- 在超级电容器中描述FHBCOH-Cu材料的结晶性,导电性和电化学性能.
主要成果:
- 合成的FHBCOH-Cu 2D c-MOF表现出优越的结晶性和增强的导电性质.
- 在电流密度为0.5Ag-1的情况下,实现了943Fg-1的创纪录的特定电容.
- 素替代和扭曲形状协同改善了超级电容器中的电极材料性能.
结论:
- 该研究提出了一个成功的分子设计策略,用于高性能2D c-MOFs的能量存储.
- 在二维c-MOF中用替代可显著提高结晶性,导电性和孔隙环境控制.
- 扭曲形状和替代物调制是推动二维c-MOF作为超级电容器电极材料的关键因素.
相关概念视频
Directing Effect of Substituents: meta-Directing Groups
4.3K
Substituents on the benzene ring that direct an incoming electrophile to undergo substitution at the meta position are called meta directors. All meta directors either have a positive charge on the atom directly bonded to the ring or a partial positive charge. These groups function by withdrawing electrons from the ring through inductive and resonance effects. Consider the carbocation intermediates formed upon the addition of an electrophile on nitrobenzene at the...
4.3K
Stability of Substituted Cyclohexanes
12.3K
This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
12.3K
Crystal Field Theory - Octahedral Complexes
25.9K
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...
25.9K
Properties of Organometallic Compounds
908
Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
908
Directing Effect of Substituents: ortho–para-Directing Groups
6.1K
Ortho–para directors are substituent groups attached to the benzene ring and direct the addition of an electrophile to the positions ortho or para to the substituent. All electron-donating groups are considered ortho–para directors. They donate electrons to the ring and make the ring more electron-rich. The ring is therefore susceptible to the addition of electrophiles. Substituents such as amino, hydroxy, or alkoxy, containing lone pairs on the atom adjacent to the ring, donate...
6.1K
Crown Ethers
5.1K
Crown ethers are cyclic polyethers that contain multiple oxygen atoms, usually arranged in a regular pattern. The first crown ether was synthesized by Charles Pederson while working at DuPont in 1967. For this work, Pedersen was co-awarded the 1987 Nobel Prize in Chemistry. Crown ethers are named using the formula x-crown-y, where x is the total number of atoms in the ring and y is the number of ether oxygen atoms. The term 'crown' refers to the crown-like shape that these ether...
5.1K


