skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Pressure Impact on the Crystal Structure, Optical, and Transport Properties in Layered Oxychalcogenides BiCu ChO( Ch = S, Se)

Abstract

The layered oxychalcogenides BiCuChO (Ch = S, Se, Te) represent a unique family of two-dimensional semiconductors with extraordinary optoelectronic and thermoelectric properties. Chemical strategies such as elemental doping have been used to modify their crystal structures and electronic configurations for better photocatalytic performances. Herein, we report the pressure impact on the crystalline and electronic band structures of BiCuChO (Ch = S, Se) with in situ synchrotron X-ray diffraction, Raman spectroscopy, electric resistivity and photocurrent measurements, and first-principle calculations. Under pressure, the crystalline lattices shrink continuously without symmetry breaking, which enhances the crystal field splitting; on the other hand, the pressure-induced charge delocalization causes the band broadening. The competition between the crystal field and charge delocalization demonstrates an efficient tool for band gap engineering: the electrical conductivity is enhanced below 12 GPa and monotonically decreases up to 40 GPa. In addition, BiCuSeO exhibits considerable photocurrent up to ~40 GPa, which suggests its potential application in pressure-responsive optoelectrical devices. Lastly, the comprehensive studies of the pressure effect on the crystal structure and electronic properties in two-dimensional semiconductors provide and in-depth understanding for developing new optoelectronic materials under extreme conditions.

Authors:
 [1];  [2];  [1];  [1];  [3];  [4];  [1];  [5];  [1]; ORCiD logo [1];  [2]; ORCiD logo [6]
  1. Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China)
  2. Yanshan Univ., Hebei (China)
  3. Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China); Chinese Academy of Sciences, Guizhou (China)
  4. Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China); Northeastern Univ., Shenyang (China)
  5. Univ. of Hawaii Manoa, Honolulu, HI (United States)
  6. Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China); Carnegie Inst. of Washington, Argonne, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA); National Nature Science Foundation of China; NSAF
OSTI Identifier:
1461699
Grant/Contract Number:  
AC02-06CH11357; EAR-1661511; FG02-94ER14466; FG02-99ER45775; 51527801; NA0001974; U1530402)
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 122; Journal Issue: 28; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; compression; physical and chemical processes; photonics; semiconductors; electrical conductivity

Citation Formats

Zhang, Qian, Chen, Chen, Li, Nana, Huang, Quan, He, Yu, Liu, Xuqiang, Wang, Bihan, Zhang, Dongzhou, Kim, Duck Young, Wang, Yonggang, Xu, Bo, and Yang, Wenge. Pressure Impact on the Crystal Structure, Optical, and Transport Properties in Layered Oxychalcogenides BiCuChO(Ch = S, Se). United States: N. p., 2018. Web. doi:10.1021/acs.jpcc.8b04996.
Zhang, Qian, Chen, Chen, Li, Nana, Huang, Quan, He, Yu, Liu, Xuqiang, Wang, Bihan, Zhang, Dongzhou, Kim, Duck Young, Wang, Yonggang, Xu, Bo, & Yang, Wenge. Pressure Impact on the Crystal Structure, Optical, and Transport Properties in Layered Oxychalcogenides BiCuChO(Ch = S, Se). United States. https://doi.org/10.1021/acs.jpcc.8b04996
Zhang, Qian, Chen, Chen, Li, Nana, Huang, Quan, He, Yu, Liu, Xuqiang, Wang, Bihan, Zhang, Dongzhou, Kim, Duck Young, Wang, Yonggang, Xu, Bo, and Yang, Wenge. Mon . "Pressure Impact on the Crystal Structure, Optical, and Transport Properties in Layered Oxychalcogenides BiCuChO(Ch = S, Se)". United States. https://doi.org/10.1021/acs.jpcc.8b04996. https://www.osti.gov/servlets/purl/1461699.
@article{osti_1461699,
title = {Pressure Impact on the Crystal Structure, Optical, and Transport Properties in Layered Oxychalcogenides BiCuChO(Ch = S, Se)},
author = {Zhang, Qian and Chen, Chen and Li, Nana and Huang, Quan and He, Yu and Liu, Xuqiang and Wang, Bihan and Zhang, Dongzhou and Kim, Duck Young and Wang, Yonggang and Xu, Bo and Yang, Wenge},
abstractNote = {The layered oxychalcogenides BiCuChO (Ch = S, Se, Te) represent a unique family of two-dimensional semiconductors with extraordinary optoelectronic and thermoelectric properties. Chemical strategies such as elemental doping have been used to modify their crystal structures and electronic configurations for better photocatalytic performances. Herein, we report the pressure impact on the crystalline and electronic band structures of BiCuChO (Ch = S, Se) with in situ synchrotron X-ray diffraction, Raman spectroscopy, electric resistivity and photocurrent measurements, and first-principle calculations. Under pressure, the crystalline lattices shrink continuously without symmetry breaking, which enhances the crystal field splitting; on the other hand, the pressure-induced charge delocalization causes the band broadening. The competition between the crystal field and charge delocalization demonstrates an efficient tool for band gap engineering: the electrical conductivity is enhanced below 12 GPa and monotonically decreases up to 40 GPa. In addition, BiCuSeO exhibits considerable photocurrent up to ~40 GPa, which suggests its potential application in pressure-responsive optoelectrical devices. Lastly, the comprehensive studies of the pressure effect on the crystal structure and electronic properties in two-dimensional semiconductors provide and in-depth understanding for developing new optoelectronic materials under extreme conditions.},
doi = {10.1021/acs.jpcc.8b04996},
url = {https://www.osti.gov/biblio/1461699}, journal = {Journal of Physical Chemistry. C},
issn = {1932-7447},
number = 28,
volume = 122,
place = {United States},
year = {2018},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share: