项目来源

河北省自然科学基金

项目主持人

范长增

项目受资助机构

燕山大学

项目编号

E2014203243

立项年度

2014

立项时间

未公开

项目级别

省级

研究期限

未知 / 未知

受资助金额

5.00万元

学科

工业高新技术

学科代码

未公开

基金类别

未公开

关键词

准晶材料 ; 热电材料 ; 高压合成 ; 第一性原理计算 ; Quasicrystals ; Thermoelectric materials ; High-pressure sintering ; First-principles calculations

参与者

未公开

参与机构

未公开

项目标书摘要：热电材料可有效地把热能转换成电能，探索具有大热电优值ZT值的新型热电材料具有重要的科学意义。准晶材料是一类新颖的固体材料，具有长程有序但缺乏平移对称性。其体系大多由金属元素组成，但输运性能却与半导体材料更像，这使其有望成为富有竞争力的热电材料。块材是热电材料应用的主要形式。本研究在实验上拟采用高压烧结和放电等离子烧结技术来合成Al-Cu-Fe体系二十面体准晶为基的块体热电材料，通过微调化学成分、掺杂、添加纳米颗粒和机械合金化等手段进一步优化热电性能；在理论上通过第一性原理计算研究准晶近似相和相关金属间化合物的晶体结构、电子结构和热电性能之间的关系；结合实验结果和理论分析，力图找出热电性能与微观的原子结构之间的对应关系，优化化学成分和工艺参数最终获得具有良好热电性能的Al-Cu-Fe系准晶块材。

Application Abstract: Thermoelectric(TE)materials can efficiently convert heat intoelectricity.Searching for novel materials with prominent dimensionless figure-ofmerit ZT holds significant scientific interests.Quasicrystals are metallic alloysrepresentative of novel condensed matter phase which has long-range order but withouttranslational symmetry.Most of their transport properties resemble a moresemiconductor like than metallic character,therefore,they could be explored aspotential TE materials.Bulk materials are the main forms that are utilized commercially.We will attemptto synthesize Al-Cu-Fe based bulk TE materials with high-pressure-sintering(HPS)and spark-plasma-sintering(SPS)technique,and to further optimize their TEproperties by minor stoichio-metric changes,doping elements or nanoparticles and/ormechanical alloying.The realtions between crystal structures,electronicstructures and TE properties of quasicrystal approximates and related intermetalliccompounds will be investigated by first-principles calculations.The dependence ofTE performances on chemical compositions will be studied by a recently proposedphenomenological approach.By comparing experimental and calculation results,highfigure-of-merit Al-Cu-Fe based bulk quasicrytals will be obtained by optimizedchemical compositions and processing parameters.

项目受资助省

河北省