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Title: Strongly Quantum Confined Colloidal Cesium Tin Iodide Perovskite Nanoplates: Lessons for Reducing Defect Density and Improving Stability

Abstract

Within the last several years, metal halide perovskites such as methylammonium lead iodide, CH3NH3PbI3, have come to the forefront of scientific investigation as defect-tolerant, solution-processable semiconductors that exhibit excellent optoelectronic properties. The vast majority of study has focused on Pb-based perovskites, which have limited applications because of their inherent toxicity. To enable the broad application of these materials, the properties of lead-free halide perovskites must be explored. Here, two-dimensional, lead-free cesium tin iodide, (CsSnI3), perovskite nanoplates have been synthesized and characterized for the first time. These CsSnI3 nanoplates exhibit thicknesses of less than 4 nm and exhibit significant quantum confinement with photoluminescence at 1.59 eV compared to 1.3 eV in the bulk. Ab initio calculations employing the generalized gradient approximation of Perdew–Burke–Ernzerhof elucidate that although the dominant intrinsic defects in CsSnI3 do not introduce deep levels inside the band gap, their concentration can be quite high. These simulations also highlight that synthesizing and processing CsSnI3 in Sn-rich conditions can reduce defect density and increase stability, which matches insights gained experimentally. This improvement in the understanding of CsSnI3 represents a step toward the broader challenge of building a deeper understanding of Sn-based halide perovskites and developing design principles that will leadmore » to their successful application in optoelectronic devices.« less

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [4];  [5];  [1]; ORCiD logo [1]; ORCiD logo [6];  [2]; ORCiD logo [7]; ORCiD logo [7]
  1. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
  3. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
  4. Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
  5. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division and Chemical Sciences Division
  6. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry and Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division and Chemical Sciences Division
  7. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry and Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Kavli Energy NanoScience Institute, Berkeley, California 94720, United States
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1484763
DOE Contract Number:  
AC02-05-CH11231
Resource Type:
Journal Article
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 18; Journal Issue: 3; Journal ID: ISSN 1530-6984
Country of Publication:
United States
Language:
English

Citation Formats

Wong, Andrew Barnabas, Bekenstein, Yehonadav, Kang, Jun, Kley, Christopher S., Kim, Dohyung, Gibson, Natalie A., Zhang, Dandan, Yu, Yi, Leone, Stephen R., Wang, Lin-Wang, Alivisatos, A. Paul, and Yang, Peidong. Strongly Quantum Confined Colloidal Cesium Tin Iodide Perovskite Nanoplates: Lessons for Reducing Defect Density and Improving Stability. United States: N. p., 2018. Web. doi:10.1021/acs.nanolett.8b00077.
Wong, Andrew Barnabas, Bekenstein, Yehonadav, Kang, Jun, Kley, Christopher S., Kim, Dohyung, Gibson, Natalie A., Zhang, Dandan, Yu, Yi, Leone, Stephen R., Wang, Lin-Wang, Alivisatos, A. Paul, & Yang, Peidong. Strongly Quantum Confined Colloidal Cesium Tin Iodide Perovskite Nanoplates: Lessons for Reducing Defect Density and Improving Stability. United States. doi:10.1021/acs.nanolett.8b00077.
Wong, Andrew Barnabas, Bekenstein, Yehonadav, Kang, Jun, Kley, Christopher S., Kim, Dohyung, Gibson, Natalie A., Zhang, Dandan, Yu, Yi, Leone, Stephen R., Wang, Lin-Wang, Alivisatos, A. Paul, and Yang, Peidong. Mon . "Strongly Quantum Confined Colloidal Cesium Tin Iodide Perovskite Nanoplates: Lessons for Reducing Defect Density and Improving Stability". United States. doi:10.1021/acs.nanolett.8b00077.
@article{osti_1484763,
title = {Strongly Quantum Confined Colloidal Cesium Tin Iodide Perovskite Nanoplates: Lessons for Reducing Defect Density and Improving Stability},
author = {Wong, Andrew Barnabas and Bekenstein, Yehonadav and Kang, Jun and Kley, Christopher S. and Kim, Dohyung and Gibson, Natalie A. and Zhang, Dandan and Yu, Yi and Leone, Stephen R. and Wang, Lin-Wang and Alivisatos, A. Paul and Yang, Peidong},
abstractNote = {Within the last several years, metal halide perovskites such as methylammonium lead iodide, CH3NH3PbI3, have come to the forefront of scientific investigation as defect-tolerant, solution-processable semiconductors that exhibit excellent optoelectronic properties. The vast majority of study has focused on Pb-based perovskites, which have limited applications because of their inherent toxicity. To enable the broad application of these materials, the properties of lead-free halide perovskites must be explored. Here, two-dimensional, lead-free cesium tin iodide, (CsSnI3), perovskite nanoplates have been synthesized and characterized for the first time. These CsSnI3 nanoplates exhibit thicknesses of less than 4 nm and exhibit significant quantum confinement with photoluminescence at 1.59 eV compared to 1.3 eV in the bulk. Ab initio calculations employing the generalized gradient approximation of Perdew–Burke–Ernzerhof elucidate that although the dominant intrinsic defects in CsSnI3 do not introduce deep levels inside the band gap, their concentration can be quite high. These simulations also highlight that synthesizing and processing CsSnI3 in Sn-rich conditions can reduce defect density and increase stability, which matches insights gained experimentally. This improvement in the understanding of CsSnI3 represents a step toward the broader challenge of building a deeper understanding of Sn-based halide perovskites and developing design principles that will lead to their successful application in optoelectronic devices.},
doi = {10.1021/acs.nanolett.8b00077},
journal = {Nano Letters},
issn = {1530-6984},
number = 3,
volume = 18,
place = {United States},
year = {2018},
month = {2}
}