Electronegative guests in CoSb3
Electronegative guests in CoSb3
复制标题
CoSb3 中的负电客体
DOI：
10.1039/c6ee00322b
复制
发表时间：
2016-01-01
影响因子：
32.5
通讯作者：
Yang, Jihui
中科院分区：
文献类型：
--
作者：
Duan, Bo;Yang, Jiong;Yang, Jihui
将客体引入主体框架形成所谓的包合物，可以用来设计具有新的和迷人的功能的材料。绝大多数包合化合物具有带中性或负电荷框架的正电性客体。在这里，我们展示了一系列电负性客体填充的方钴矿与相反的极性。对于电负性基团VIA客体观察到的强共价客体-主体相互作用，即，S和Se具有独特的局部“簇振动”，其显著影响晶格动力学，连同由元素替换引起的点缺陷散射，导致非常低的晶格热导率值。电负性客体的发现为方钴矿中客体的填充提供了新的视角，共价填充/晶格相互作用导致了一种特殊的晶格动力学现象，可用于设计高效热电材料和具有开放结构的新型功能包合物。
Introducing guests into a host framework to form a so called inclusion compound can be used to design materials with new and fascinating functionalities. The vast majority of inclusion compounds have electropositive guests with neutral or negatively charged frameworks. Here, we show a series of electronegative guest filled skutterudites with inverse polarity. The strong covalent guest–host interactions observed for the electronegative group VIA guests, i.e., S and Se, feature a unique localized “cluster vibration” which significantly influences the lattice dynamics, together with the point-defect scattering caused by element substitutions, resulting in very low lattice thermal conductivity values. The findings of electronegative guests provide a new perspective for guest-filling in skutterudites, and the covalent filler/lattice interactions lead to an unusual lattice dynamics phenomenon which can be used for designing high-efficiency thermoelectric materials and novel functional inclusion compounds with open structures.