直接带隙2D银二二氧化:一个基间隔离子的结构指导作用
Manoj K Jana1, Svenja M Janke1,2, David J Dirkes3
1Department of Mechanical Engineering and Materials Science , Duke University , Durham , North Carolina 27708 , United States.
Journal of the American Chemical Society
|April 25, 2019
概括
研究人员开发了一种新的无2DAg-二双,克服了光电子应用的稳定性挑战. 这种新材料提供了直接的带隙,为先进的太阳能转换技术铺平了道路.
科学领域:
- 材料科学
- 固态化学
- 光电子产品
背景情况:
- 三维 (3D) 混合有机无机化矿 (HOIP) 对太阳能有前景,但面临稳定性和毒性问题.
- 两维 (2D) HOIP提供了增强的稳定性和可性,其中无双矿 (DP) 是主要目标.
- 由于不稳定性和相位竞争,实现具有低带隙的二维混合金属化物DP具有挑战性.
研究的目的:
- 合成和描述第一个2D Ag-Bi iodide双矿.
- 探索专门设计的有机离子用于稳定新型二维HOIP.
- 调查新材料的光电子特性和电子结构,以了解其潜在的应用.
主要方法:
- 通过双功能化的寡基离子模拟的2D Ag-Bi iodide DP 的合成.
- 材料结构和光电子特性,包括带隙测量.
- 混合密度功能理论 (DFT) 计算以阐明电子带结构.
主要成果:
- 首次成功合成二维酸DP.
- 对2.00(2) eV的直接带隙进行实验确定.
- DFT计算证实了直接带隙,并确定了负责带边的关键电子状态 (Ag-d/I-p和Bi-p/I-p).
结论:
- 这项研究提出了一种新型的无2DAg-二化物DP,由设计的酸稳定.
- 该材料对光电子应用具有有前途的直接带隙性能.
- 这项工作展示了通过量身定制的有机离子体设计来访问以前无法访问的二维HOIP的策略.
相关概念视频
Directing Effect of Substituents: meta-Directing Groups
5.9K
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...
5.9K
Directing Effect of Substituents: ortho–para-Directing Groups
8.3K
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...
8.3K
Directional Relays
597
Directional relays, essential for managing unidirectional fault currents, enhance the safety and efficiency of power systems. On power lines equipped with directional relays, faults downstream (to the right) of the current transformer typically cause the fault current to lag the bus voltage by approximately 90 degrees, known as the forward direction. In contrast, upstream (left-side) faults may result in the fault current leading the bus voltage by nearly 90 degrees, termed the reverse...
597
Directional Terms
16.1K
Directional terms are essential for describing the relative locations of different body structures. For instance, an anatomist might describe one band of tissue as "inferior to" another, or a physician might describe a tumor as "superficial to" a deeper body structure. These terms often use comparative terms in pairs to trace out the relative locations of one body part to another or descriptions of body tissues like the deeper ones from superficially present with reference to...
16.1K
Direct-Acting Cholinergic Agonists: Chemistry and Structure-Activity Relationship
2.1K
Cholinergic agonists or cholinomimetics mimic the action of acetylcholine to stimulate the parasympathetic nervous system. They are categorized into direct-acting and indirect-acting agents. The direct-acting cholinergic drugs induce the parasympathetic response by directly binding to the muscarinic or nicotine receptors. In comparison, the indirect-acting cholinergic drugs prevent acetylcholine hydrolysis, indirectly contributing to the extended parasympathetic response.
The direct-acting...
The direct-acting...
2.1K
Aromatic Hydrocarbon Cations: Structural Overview
3.7K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
Removing one hydrogen from the intervening CH2 group...
3.7K


