Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr-S chalcogenides
文献类型：期刊论文
| 作者 | Ming, C; Yang, K; Zeng, H; Zhang, SB; Sun, YY |
| 刊名 | MATERIALS HORIZONS
 |
| 出版日期 | 2020-11-01 |
| 期号 | 11页码:2985 |
| ISSN号 | 2051-6347 |
| DOI | 10.1039/d0mh01092h |
| 文献子类 | Article |
| 英文摘要 | Octahedron rotation (OR) is a unique structural feature in most perovskite materials. During dimensional reduction from bulk to two-dimensional (2D) perovskites, how the OR pattern evolves is still an open question. Here, we employ an adapted Glazer's notation from bulk perovskites to systematically study the structural evolution of 2D perovskites by fully considering the possible OR patterns. Applying this approach to the 2D Ba-Zr-S system, we establish the relationship between the OR pattern and slab thickness. It is found that as the thickness decreases, the OR pattern undergoes a transition by suppressing out-of-plane rotations. The OR in 2D chalcogenide perovskites could result in an anti-confinement effect, i.e., reducing the band gap to even below that of the bulk by countering the quantum confinement effect. In addition, we show that the Ba-Zr-S 2D perovskites exhibit reasonable electron mobility of similar to 150 cm(2) V-1 s(-1) and large exciton binding energy of similar to 0.9 eV. Combining the slab thickness and strain as effective knobs for widely tuning the electronic structure, we suggest the 2D chalcogenide perovskites as promising optoelectronic materials. |
| WOS关键词 | LEAD HALIDE PEROVSKITES ; ELECTRON ; SEMICONDUCTORS ; CHALLENGES ; EFFICIENCY ; MOBILITY ; BANDGAP |
| WOS研究方向 | Chemistry ; Materials Science |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27652]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Ming, C,Yang, K,Zeng, H,et al. Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr-S chalcogenides[J]. MATERIALS HORIZONS,2020(11):2985. |
| APA | Ming, C,Yang, K,Zeng, H,Zhang, SB,&Sun, YY.(2020).Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr-S chalcogenides.MATERIALS HORIZONS(11),2985. |
| MLA | Ming, C,et al."Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr-S chalcogenides".MATERIALS HORIZONS .11(2020):2985. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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