Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

ZnLiFeO_3高温热敏厚膜材料的研究

ＺｎＬｉＦｅＯ３（ＺＬＦ）高温ＮＴＣ热敏厚膜材料，是以尖晶石结构的ＺｎＬｉＦｅＯ３导电陶瓷作厚膜浆料的导电相，以Ａｌ２Ｏ３瓷为基体，用厚膜工艺制成的。实验表明，在氮气中烧结的ＺＬＦ厚膜材料，室温方阻１０３Ω／□级，Ｂ值约１０００Ｋ。在高温５００～７００℃范围内，方阻降为１０２Ω／□级，Ｂ值仍小于１０００Ｋ。是一种很有前途的高温热敏材料。     

新型NTC热敏电阻材料—含铜Mn系铁氧体的研究

研究了含铜Mn系铁氧体的阻温特性,目的是用廉价的铁氧体取代价格昂贵的、传统的Mn Ni Co氧化物、负温度系数热敏电阻。通过Cu~(2+)离子取代Fe~(2+)离子或Mn~(2+)离子,及改变淬火工艺,可以改变Mn系铁氧体整体电阻率ρ和材料参数B,得到可与传统氧化物器件相比拟的性能。     

Revised Model of Strain in Ceria–Zirconia-Encapsulated Precious-Metal Particles

A previously proposed model of strain in ceria–zirconia-encapsulated precious-metal particles is revised to reflect several new observations: encapsulation of unstrained Pt particles, quantitative relation between partial reduction and the change in ceria–zirconia cell parameters, temperature/time dependence of strain relaxation/imposition in encapsulated Pd and Rh particles, and strained PdO. According to the revised model, the main cause of strain is partial oxidation of the precious metal (rather than the change in oxygen content of ceria–zirconia, as originally suggested).     

LaCrMnNiO系热敏陶瓷的微观结构控制

通过对不同配方、工艺下的ＬａＣｒＭｎＮｉＯ系热敏陶瓷的微观结构研究，指出材料的相组成对其宏观电性能的影响，并提出了通过复合工艺利用“过渡相”的形成，对材料的“最终相”加以控制的方法。文中列出了使用ＸＲＤ及ＸＰＳ手段对材料微观结构的分析结果及有关电性能的测试数据。     

热敏电缆在拉拔减径工艺过程中的性能变化

在拉拔减径工艺的初始阶段，装填于热敏电缆中的氧化物陶瓷热敏材料粉的体积将发生收缩，随后体积不再发生变化。对于不经过热处理的样品，理论分析和实验结果表明，体积收缩停止后，其每米电阻值不随尺寸变化而改变。由于安装等因素引起的芯线电极的位置偏差不公带来样品电阻较大的变化。对于经过热处理的样品，其电阻值在热处理前后及拉拔减径过程中都有较大的变化（可达几个数量级），变化规律较为紊乱。实验分析发现，热处理后的     

磷酸盐激光玻璃中铂颗粒密度与氧化还原平衡关系的研究

用吸收光谱法研究了Ｒ２Ｏ—ＢａＯ—Ｐ２Ｏ５系统磷酸盐激光玻璃中铂颗粒密度与铭的氧化还原平衡的关系。结果表明，玻璃中铂颗粒密度随平衡向右移动而减小；玻璃中平衡随熔炼气氛中氧分压增大、熔炼温度升高而向右移动，当足够大时，铂颗粒不能形成。     

硫酸铵-氯化亚锡-孔雀绿体系浮选分离铂

研究了在盐酸介质中硫酸铵存在下氯化亚锡—孔雀绿—水体系浮选分离铂的方法。在最佳实验条件下，铂的浮选率可达100．0％，并与常见贱金属完全分离。     

TiO_2粉体性能对PTC热敏电阻性能的影响

ＴｉＯ_２的纯度、粒度及粒形对ＢａＴｉＯ_３系ＰＴＣＲ的性能影响很大，对所用ＴｉＯ_２加以选择非常重要，国产和日本产ＴｉＯ_２原料在粉体性能上存在差异。