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.     

"十一五"规划国家级重点通信项目

《信息产业科技发展“十一五”规划》提出设立部分重大项目,力争实现重点突破,形成一批具有自主知识产权的核心技术和创新产品,打造较为完整的产业链,形成世界一流的产业群。这其中,与通信相关的重点项目主要有:宽带无线移动通信、下一代网络、家庭网络、智能终端、数字电视等。本部分将对我国在以上领域的现状、项目的具体内容和目标、实现这些目标的具体计划以及相关厂商在各领域的努力和成绩进行介绍。     

一种多晶硅高温压力传感器

制作压力传感器时，在二氧化硅层上淀积多晶硅膜，既可利用优良的机械特性，又可保证压敏电阻与衬底间具有良好的绝缘性，由此可大大提高器件的温度特性。介绍了一种多晶硅压力传感器的原理和设计。实验结果表明，这类传感器具有灵敏度好，精度高等特点，电路工作范围为０－２５０℃，且具有良好的温度稳定性。     

分离式热管换热器在脱硫装置的应用

介绍了分离式热管换热器的工作原理及其在工业脱硫装置中的应用，并不其余热回收情况与传统的二次中热方法相比较，阐明了其节能及环保作用。     

具有除草活性的双膦酸衍生物的研究动态

许多含双膦酸结构单元的化合物都显示了良好的除草活性,本文对这类化合物的结构特点、生物活性以及相关的研究动态进行了归纳和概述。     

Automatic conversion from lexical words to prosodic words for mandarin text-to-speech system

In real speech, not like lexical words (LWs), prosodic words (PWs) are basic rhythmic units. The naturalness of a Text-to-Speech (TTS) system is directly influenced by the segmentation of the PWs. Most of the PWs are the combination of several LWs. In this paper, three Lexical Combination Models are proposed to combine LWs into PWs, including a Directed Acyclic Graph Model, a Segmentation Model and a Markov Model (MM). To cope with the situation where some long LWs should be segmented into two or more PWs, a Lexical Split Model (LSM) is applied to the long LWs. Experimental results prove that relatively constant results with various training data can be obtained from a MM. The Transformation-Based Error Driven Learning (TBED) algorithm, for its high performance of individual property, is applied in combination with the MM to improve the precision of PW segmentation. Experiments show that among the three proposed models, the MM combined with TBED and LSM, leads to the best performance, in which a precision of 93.00% and a recall of 93.23% are achieved. The perception test indicates that by using PWs as the lowest prosodic units a speech sounds more natural and acceptable than by using LWs. This paper is supported by NSFC Project (60503071); 973 Natural Basic Research Program of China (2004CB318102); Postdoctor Science Foundation of P. R. China (20070420275).     

快速色谱分析技术在油气勘探中的应用

文章通过对五口井的现场应用介绍，阐述了快速色谱分析技术在油气层识别和解释方面的准确性，探讨了该技术在薄油气层的发现和评价、快速钻进条件下油气层的发现、对油气层全烃组份变化的统一、水平井的地质导向以及排除钻井液添加荆对油气显示的影响五个方面的优势，从而论证了快速色谱分析技术在油气勘探中的应用价值。     

Hydrothermal Reaction Mechanism and Pathway for the Formation of K2Ti6O13 Nanowires

Calculations and detailed first principle and thermodynamic analyses have been performed to understand the formation mechanism of K₂Ti₆O₁₃ nanowires (NWs) by a hydrothermal reaction between bulk Na₂Ti₃O₇ crystals and a KOH solution. It is found that direct ion exchange between K⁺ and Na⁺ plus H⁺ interactions with [TiO₆] octahedra in Na₂Ti₃O₇ promote the formation of an intermediate H₂K₂Ti₆O₁₄ phase. The large lattice mismatch between this intermediate phase and the bulk Na₂Ti₃O₇ structure, and the large energy reduction associated with the formation of this intermediate phase, drive the splitting of the bulk crystal into H₂K₂Ti₆O₁₄ NWs. However, these NWs are not stable because of large [TiO₆] octahedra distortion and are subject to a dehydration process, which results in uniform K₂Ti₆O₁₃ NWs with narrowly distributed diameters of around 10 nm.