SIC OpenIR
Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr-S chalcogenides
Ming, C; Yang, K; Zeng, H; Zhang, SB; Sun, YY
2020-11-01
Source PublicationMATERIALS HORIZONS
ISSN2051-6347
Issue11Pages:2985
SubtypeArticle
AbstractOctahedron 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.
DOI10.1039/d0mh01092h
WOS KeywordLEAD HALIDE PEROVSKITES ; ELECTRON ; SEMICONDUCTORS ; CHALLENGES ; EFFICIENCY ; MOBILITY ; BANDGAP
Language英语
WOS Research AreaChemistry ; Materials Science
PublisherROYAL SOC CHEMISTRY
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/27652
Collection中国科学院上海硅酸盐研究所
Recommended Citation
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Ming, C]'s Articles
[Yang, K]'s Articles
[Zeng, H]'s Articles
Baidu academic
Similar articles in Baidu academic
[Ming, C]'s Articles
[Yang, K]'s Articles
[Zeng, H]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Ming, C]'s Articles
[Yang, K]'s Articles
[Zeng, H]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.