Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

Synthesis and Photophysical Properties of a Sc3N@C80‐Corrole Electron Donor–Acceptor Conjugate

Embedding endohdedral metallofullerenes (EMFs) into electron donor–acceptor systems is still a challenging task owing to their limited quantities and their still largely unexplored chemical properties. In this study, we have performed a 1,3‐dipolar cycloaddition reaction of a corrole‐based precursor with Sc₃N@C₈₀ to regioselectively form a [5,6]‐adduct ( 1 ). The successful attachment of the corrole moiety was confirmed by mass spectrometry. In the electronic ground state, absorption spectra suggest sizeable electronic communications between the electron acceptor and the electron donor. Moreover, the addition pattern occurring at a [5,6]‐bond junction is firmly proven by NMR spectroscopy and electrochemical investigations performed with 1 . In the electronically excited state, which is probed in photophysical assays with 1 , a fast electron‐transfer yields the radical ion pair state consisting of the one‐electron‐reduced Sc₃N@C₈₀ and of the one‐electron‐oxidized corrole upon its exclusive photoexcitation. As such, our results shed new light on the practical work utilizing EMFs as building blocks in photovoltaics.     

掺镱双包层高功率光纤激光器输出特性研究

对线形腔掺镱双包层高功率光纤激光器的输出特性进行了研究 ,通过求解速率方程 ,得到了激光器泵浦阈值功率、输出光功率和斜率效率的表达式。分析了光纤长度、腔镜反射率和泵浦波长等因素对激光器阈值功率、输出光功率和斜率效率的影响 ,为高功率光纤激光器的优化设计提供了理论依据     

动力环境集中监控系统可靠性的提高

为实现电源设备乃至通信机房的少人或无人值守和集中维护,必须建立一套完善的电信局动力环境集中监控系统。文中结合番禺区电信局的实际,讨论了提高系统运行可靠性的几点措施,包括硬件方面与软件方面的手段,关键在于加强系统的运行管理。     

基于CB的串行口和接口板端口程序应用

串行口及接口板端口是计算机通信的主要途径 ,也是目前计算机工程测控中通用的基本方法。C Builder (简称CB)编程语言以其功能完备、开发效率高的特点而成为目前流行的程序开发工具 ,介绍了利用CB语言编写串行口和端口通信的程序的方法 ,并对具体的各方法编写了相应的示例。     

基于矢量平均的信道估计算法

提出一种适用于DS-CDMA无线通信系统的低计算量而性能良好的信道估计算法。在DS-CDMA系统中，当接收信号经过解扩或多用户检测等时域预处理后，可以认为干扰大大减弱、期望信号在处理后的信号中占主要地位。这样，用预处理后信号相关阵的最大特征值对应的特征矢量可以很好地近似期望信号的信道矢量。但是，直接特征分解需要很大的计算量，特征跟踪计算量较低，但瞬态性能较差。本文提出一种基于相关矩阵列矢量平均的信道估计算法，该算法不需要特征分解或跟踪。仿真结果表明：新算法在降低计算量的情况下可以获得同直接特征分解方法几乎相同的性能。     

理想九点五态控制器原理的叙述

用计算的方式叙述理想九点五态控制器的控制原理。为便于人们理解二阶对象的运动中控制的变化过程,将抽象的对象转换为人们熟知的L-R-C电路,通过调节输入电压(即控制作用)的大小和方向来实现对对象性能的调节,并使系统达到理想的性能指标。最后用仿真来验证计算结果的正确性。     

生存能力技术及其实现案例研究

生存能力技术谋求增强系统在面临攻击、失效等灾难情况下仍能继续提供服务的能力。本文提出了以多样化分布式动态备份技术和主动漂移机制为手段，以被保护目标的机动性和隐蔽性为目的的生存能力技术模型。提出了多样化体系理论及其实现案例，基于该理论设计并实现了自适应TOM方法。最后通过模拟和测试探讨了生存能力的评价方法，并验证了本文的结果。     

激光熔覆专用铁基合金粉末的研究进展

指出了目前防止熔覆层开裂所采取的主要措施中存在的问题,阐述了激光熔覆和热喷涂对于所用合金粉末性能要求之异同,评述了激光熔覆专用铁基合金粉末的研制现状,提出了成分与组织设计的新思想。