Role of lone pair electrons in n-type thermoelectric properties of tin oxides
Role of lone pair electrons in n-type thermoelectric properties of tin oxides
复制标题
孤对电子在氧化锡n型热电性能中的作用
DOI：
10.1088/1361-648x/abc4cd
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发表时间：
2020-02
期刊：
影响因子：
--
通讯作者：
Rui Xiong
中科院分区：
文献类型：
--
作者：
Wei Cao;ZiyuWang;Ling Miao;Jing Shi;Rui Xiong
Oxide materials have shown promising thermoelectric applications due to their availability, tunability, and thermal stability. Among oxide materials, the layered tin oxides (SnO) attract raising attention in the electronic and optoelectronic field owing to their lone pair electrons. We have investigated the thermoelectric properties of layered SnO structures through first-principle calculations. SnO exhibits superior n-type thermoelectric properties and the metallicity of SnO becomes stronger with the number of layers increasing. The lone pair electrons around Sn atoms are the key factor to n-type properties and they will get bonded and anti-bonded in the case of interlayer interaction. Monolayer SnO exhibits the best thermoelectric performances and the average n-type ZT value of monolayer SnO can achieve 0.90 at 500–700 K. Our results demonstrate that layered SnO will be the potential n-type two-dimensional oxide thermoelectric material.
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影响因子：
29.4
作者：
Qianwang Chen;Xiaoguang Li;Yuheng Zhang;Y. Qian
通讯作者：
Qianwang Chen;Xiaoguang Li;Yuheng Zhang;Y. Qian
影响因子：
8.6
作者：
E. J. Skoug;D. Morelli
通讯作者：
E. J. Skoug;D. Morelli
影响因子：
3.7
作者：
MONKHORST, HJ;PACK, JD
通讯作者：
PACK, JD
影响因子：
3.7
作者：
MONKHORST, HJ;PACK, JD
通讯作者：
PACK, JD
DOI：
10.1039/c7cp08471d
发表时间：
2018-03
期刊：
Physical chemistry chemical physics : PCCP
影响因子：
--
作者：
R. B. Pontes;Rosana Rabelo Mançano;Rafael da Silva;L. Cotica;R. Miwa;J. E. Padilha
通讯作者：
R. B. Pontes;Rosana Rabelo Mançano;Rafael da Silva;L. Cotica;R. Miwa;J. E. Padilha