Designing high-performance layered thermoelectric materials through orbital engineering | |
Zhang, Jiawei1,2; Song, Lirong1,2; Madsen, Georg K. H.3; Fischer, Karl F. F.1,2; Zhang, Wenqing4,5; Shi, Xun4; Iversen, Bo B.1,2 | |
刊名 | NATURE COMMUNICATIONS |
2016-03-01 | |
卷号 | 7 |
英文摘要 | Thermoelectric technology, which possesses potential application in recycling industrial waste heat as energy, calls for novel high-performance materials. The systematic exploration of novel thermoelectric materials with excellent electronic transport properties is severely hindered by limited insight into the underlying bonding orbitals of atomic structures. Here we propose a simple yet successful strategy to discover and design high-performance layered thermoelectric materials through minimizing the crystal field splitting energy of orbitals to realize high orbital degeneracy. The approach naturally leads to design maps for optimizing the thermoelectric power factor through forming solid solutions and biaxial strain. Using this approach, we predict a series of potential thermoelectric candidates from layered CaAl2Si2-type Zintl compounds. Several of them contain nontoxic, low-cost and earth-abundant elements. Moreover, the approach can be extended to several other non-cubic materials, thereby substantially accelerating the screening and design of new thermoelectric materials. |
WOS标题词 | Science & Technology |
类目[WOS] | Multidisciplinary Sciences |
研究领域[WOS] | Science & Technology - Other Topics |
关键词[WOS] | BULK THERMOELECTRICS ; TRANSPORT-PROPERTIES ; ZINTL COMPOUNDS ; EFFICIENCY |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000371719900001 |
内容类型 | 期刊论文 |
源URL | [http://ir.sic.ac.cn/handle/331005/23148] |
专题 | 上海硅酸盐研究所_高性能陶瓷和超微结构国家重点实验室_期刊论文 |
作者单位 | 1.Aarhus Univ, Dept Chem, Ctr Mat Crystallog, Langelandsgade 140, DK-8000 Aarhus, Denmark 2.Aarhus Univ, iNANO, Langelandsgade 140, DK-8000 Aarhus, Denmark 3.Ruhr Univ Bochum, ICAMS, Computat Mat Discovery, D-44801 Bochum, Germany 4.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, 1295 Dingxi Rd, Shanghai 200050, Peoples R China 5.Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China |
推荐引用方式 GB/T 7714 | Zhang, Jiawei,Song, Lirong,Madsen, Georg K. H.,et al. Designing high-performance layered thermoelectric materials through orbital engineering[J]. NATURE COMMUNICATIONS,2016,7. |
APA | Zhang, Jiawei.,Song, Lirong.,Madsen, Georg K. H..,Fischer, Karl F. F..,Zhang, Wenqing.,...&Iversen, Bo B..(2016).Designing high-performance layered thermoelectric materials through orbital engineering.NATURE COMMUNICATIONS,7. |
MLA | Zhang, Jiawei,et al."Designing high-performance layered thermoelectric materials through orbital engineering".NATURE COMMUNICATIONS 7(2016). |
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