High-performance nonfused ring electron acceptor with a steric hindrance induced planar molecular backbone

Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs.     

A matricial corona theorem II

We extend the ``matricial corona theorem' of M. Andersson to general algebras of functions which satisfy a corona theorem.

     

一种确定氧化数的新方法

氧化数是元素的重要性质,在无机化学中应用广泛。长期以来,确定元素氧化数主要根据桐山良一和鲍林等建立的规则,这些规则对于氧化数概念在化学中的推广普及起了很大的作用,但在遇到结构复杂或未知化合物时有时仍然会出现问题。本文根据IUPAC的氧化数定义提出,氧化数完全取决于成键两原子之间的电子供需关系,元素的最高正氧化数受到其原子价层电子数的限制,而元素的最低负氧化数受到同周期稀有气体元素外层电子数与其价层电子数差值的限制,据此建立了确定元素氧化数的新方法,该方法既不需要考虑分子结构,也不依赖元素氧化数的习惯规定,符合氧化数概念提出的初衷,简便易行,例外情况少,不仅适合大学化学教学,也适合中学化学教学。     

双模随机交错晶场中最近邻弱交换相互作用对重入现象的影响

利用有效场理论研究了双模随机交错晶场中混合自旋Blume-Capel模型纳米管系统的重入现象,发现了系统的重入现象与晶场取值概率、晶场强度和外壳层与内壳层格点间最近邻交换相互作用的关系.结果表明:取值概率、交换相互作用、晶场强度和温度等诸多因素相互竞争,使系统表现出丰富的磁化现象:正(负)晶场较弱时,系统只发生二级相变;随着正(负)晶场增强,系统的二级相变消失,呈现一级相变;一定条件下,系统会出现重入现象.     

Synthesis of carbon nitride nanotubes with the C(3)N(4) stoichiometry via a benzene-thermal process at low temperatures

In this communication, we first report the direct synthesis of high-quality carbon nitride nanotubes (CNNTs) with inner diameters of 50-100 nm and wall thicknesses of 20-50 nm with the C(3)N(4) stoichiometry on a high-yield of 40%via a simple benzene-thermal process involving the reaction of C(3)N(3)Cl(3) with NaN(3) in a Teflon-lined autoclave at 220 [degree]C without using any catalyst or template.     

模拟时滞化学反应系统的自适应τ-Leap算法

本文发展了一种模拟时滞化学反应系统的自适应τ-Leap算法（DAr—Leap）．该算法将后验τ-Leap算法应用到时滞化学反应系统，能够自动调节τ使得在时间区间[t，t＋τ）内发生多次反应事件并且精确地满足Leap条件，从而避免了负分子数目的产生，较大地提高了模拟速度．     

关于算子组Taylor谱的定义

给出了关于算子组Taylor谱的另一种定义及ε-联合伪谱的定义,并讨论了它的一些性质以及关于交叉交换算子组在这几种定义下的一些结果.     

4.44 W of CW 515 nm green light generated by intracavity frequency doubling Yb:YAG thin disk laser with LBO

We demonstrate the generation of 515 nm green laser with diode-pumped Yb:YAG thin disk by intracavity frequency doubling of type-I phase-matched LiB₃O₅(LBO) in a V-type cavity at room temperature. A continuous-wave (CW) output power of 4.44 W at 515 nm was obtained. Optical-optical efficiency of 515 nm green laser is 14.6%. The fluctuation of green laser was 1.6% at the maximum output power in 0.5 h. Thermal lensing effects in Yb:YAG thin disk are investigated too.     

2-difluoromethylene-4-methylenepentanoic acid, a paradoxical probe able to mimic the signaling role of 2-oxoglutaric acid in cyanobacteria

2-Difluoromethylene-4-methylenepentanoic acid (DFMPA), a seemingly deviated analog of 2-oxoglutaric acid (2-OG), could surprisingly mimic its signaling function in cyanobacteria. Computer modeling revealed the favorable binding of DFMPA toward the 2-OG receptor, NtcA, via mutual conformational changes, suggesting that structural alteration of 2-OG is tolerated for it to exercise its signaling role. This extremely useful finding could be exploited for the design of affinity probes with which to study new 2-OG receptors in related signaling pathways.     

脉冲X射线剂量率测量不确定度分析

“强光一号”短脉冲高能X射线剂量率测量,主要包括脉冲射线总剂量与脉冲射线时间宽度的测量,前者采用热释光剂量计测量,后者采用PIN半导体探测器记录。根据不确定度传递数学模型,分析了影响X射线剂量和脉冲宽度测量结果的因素。针对“强光一号”短脉冲高能X射线测量,定量地给出了各种因素引入的测量不确定度,总剂量测量是影响剂量率测量准确性的决定性因素,其相对标准不确定度为25.1％,脉冲宽度测量不确定度为3.7％,剂量率测量扩展不确定度为50.8%,置信概率95%。