Journal of the American Chemical Society
DOI: 10.1021/jacs.1c07431
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31 Aug 00:44
[ASAP] Long Carbon–Carbon Bonding beyond 2 Å in Tris(9-fluorenylidene)methane
by Takashi Kubo, Yuki Suga, Daisuke Hashizume, Hiroki Suzuki, Tatsuya Miyamoto, Hiroshi Okamoto, Ryohei Kishi, and Masayoshi Nakano
Promeet Saha, QiuJ and one other like this
06 Jan 01:14
Rational design of bis(4-methoxyphenyl)amine-based molecules with different π-bridges as hole-transporting materials for efficient perovskite solar cells
Publication date: April 2017
Source:Dyes and Pigments, Volume 139
Author(s): Xiaorui Liu, Chengzhi Huang, Ming Li
Exploration on alternative organic hole-transporting materials (HTMs) especially for high-efficiency perovskite solar cells (PSCs) has attracted great attention recently. In this work, a strategy to tune π-bridged units of the small molecular HTM which consists of bis(4-methoxyphenyl)amine as arm and spiro[fluorene-9,9'-xanthene] as π-bridge were theoretically presented for improvement of the PSC efficiency. The π-bridged tunings could promote the contribution of the highest occupied molecular orbital (HOMO) to delocalize throughout whole molecules in order to be favorable for enhancing the hole transfer integral and hole mobility. Compared with the parent HTM, the new designed HTMs in PSC applications exhibit better performance with higher HOMO energy levels, larger Stokes shifts, little exciton binding energy, better stability and higher hole mobility. Therefore, the strategy on basis of modulating the π-bridge units of small molecules can effectively change the performance of HTMs and thereby provide a useful guideline of π-bridge screening for the design of excellent HTMs in PSC applications. In view of the excellent properties, the designed molecules as HTMs can act as a promising candidates for providing a large efficiency in PSC applications.
Source:Dyes and Pigments, Volume 139
Author(s): Xiaorui Liu, Chengzhi Huang, Ming Li
Exploration on alternative organic hole-transporting materials (HTMs) especially for high-efficiency perovskite solar cells (PSCs) has attracted great attention recently. In this work, a strategy to tune π-bridged units of the small molecular HTM which consists of bis(4-methoxyphenyl)amine as arm and spiro[fluorene-9,9'-xanthene] as π-bridge were theoretically presented for improvement of the PSC efficiency. The π-bridged tunings could promote the contribution of the highest occupied molecular orbital (HOMO) to delocalize throughout whole molecules in order to be favorable for enhancing the hole transfer integral and hole mobility. Compared with the parent HTM, the new designed HTMs in PSC applications exhibit better performance with higher HOMO energy levels, larger Stokes shifts, little exciton binding energy, better stability and higher hole mobility. Therefore, the strategy on basis of modulating the π-bridge units of small molecules can effectively change the performance of HTMs and thereby provide a useful guideline of π-bridge screening for the design of excellent HTMs in PSC applications. In view of the excellent properties, the designed molecules as HTMs can act as a promising candidates for providing a large efficiency in PSC applications.
Graphical abstract
05 Feb 08:46
奥林巴斯发布E-M5 MarkII 可拍摄合成6400万像素照片
奥林巴斯正式发布新款OM-D无反相机E-M5 II，作为E-M5的后继产品，E-M5 II继续采用1600万像素传感器，但图像处理器升级到最新的TruePIC VII，感光度ISO 100-25600，最高连拍速度10fps，最高快门速度1/16000s。特殊的高精细模式让传感器以0.5像素步进位移，可拍摄合成6400万像素RAW和4000万像素JPEG格式照片，充分发挥M.Zuiko镜头性能。
11 Oct 00:18
Plasmonic Nanosnowmen with a Conductive Junction as Highly Tunable Nanoantenna Structures and Sensitive, Quantitative and Multiplexable Surface-Enhanced Raman Scattering Probes
by Jung-Hoon Lee, Myung-Hwa You, Gyeong-Hwan Kim and Jwa-Min Nam
Nano Letters
DOI: 10.1021/nl502541u
15 Sep 00:15
能挡子弹的纺织电路板来了 柔韧性强不怕清洗
我们都知道，使用最新的打印技术，我们可以3D打印出电子设备电路板。但是这种新科技有一个缺点就是：打印出来的电路板没有柔性。不过，香港理工大学研究人员开发出了一种“纺织电路板”（FCB），它具备很强的柔韧性，同时也是不惧清洗。
28 Jun 08:21
糖尿病患福音：美FDA批准新型胰岛素吸入器
美国食品与药物管理局（FDA）今日批准通过了用于治疗糖尿病患者的新型胰岛素吸入器及吸入型药物Afreeza。由加州MannKind公司制造，该产品可以使患者通过吸入干燥粉末状药物来控制胰岛素水平。虽无法用来代替胰岛素注射长时间控制血糖水平，但是可以在餐时短暂控制胰岛素水平。据公司称该粉末药物能起效12至15分钟。
13 May 00:35
Be2C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure
by Yafei Li, Yunlong Liao, Zhongfang Chen
Abstract
The design of new materials is an important subject in order to attain new properties and applications, and it is of particular interest when some peculiar topological properties such as reduced dimensionality and rule-breaking chemical bonding are involved. In this work, we designed a novel two-dimensional (2D) inorganic material, namely Be2C monolayer, by comprehensive density functional theory (DFT) computations. In Be2C monolayer, each carbon atom binds to six Be atoms in an almost planar fashion, forming a quasi-planar hexacoordinate carbon (phC) moiety. Be2C monolayer has good stability and is the lowest-energy structure in 2D space confirmed by a global minima search based on the particle-swarm optimization (PSO) method. As a semiconductor with a direct medium band gap, Be2C monolayer is promising for applications in electronics and optoelectronics.
Promising material: In the two-dimensional Be2C monolayer, each carbon atom binds to six Be atoms forming a quasi-planar hexacoordinate carbon moiety (see structure; C black, Be green). Be2C monolayer has good stability and is the global minimum structure in 2D space. Further, it is semiconducting with a moderate direct band gap.
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