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Title: Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable Bismuth Oxyiodide (BiOI)

Abstract

Bismuth-based compounds have recently gained increasing attention as potentially nontoxic and defect-tolerant solar absorbers. However, many of the new materials recently investigated show limited photovoltaic performance. Herein, one such compound is explored in detail through theory and experiment: bismuth oxyiodide (BiOI). BiOI thin films are grown by chemical vapor transport and found to maintain the same tetragonal phase in ambient air for at least 197 d. The computations suggest BiOI to be tolerant to antisite and vacancy defects. All-inorganic solar cells (ITO|NiO x|BiOI|ZnO|Al) with negligible hysteresis and up to 80% external quantum efficiency under select monochromatic excitation are demonstrated. The short-circuit current densities and power conversion efficiencies under AM 1.5G illumination are nearly double those of previously reported BiOI solar cells, as well as other bismuth halide and chalcohalide photovoltaics recently explored by many groups. Through a detailed loss analysis using optical characterization, photoemission spectroscopy, and device modeling, direction for future improvements in efficiency is provided. In conclusion, this work demonstrates that BiOI, previously considered to be a poor photocatalyst, is promising for photovoltaics.

Authors:
ORCiD logo [1];  [2];  [3];  [2];  [2];  [3];  [3];  [3];  [3];  [3];  [2];  [3];  [3];  [4];  [3];  [2]
  1. Univ. of Cambridge, Cambridge (United Kingdom); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  2. Univ. of Cambridge, Cambridge (United Kingdom)
  3. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  4. Colorado School of Mines, Golden, CO (United States); National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1373141
Report Number(s):
NREL/JA-5K00-68975
Journal ID: ISSN 0935-9648
Grant/Contract Number:
AC36-08GO28308; SC0001088
Resource Type:
Journal Article: Published Article
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 36; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; air-stability; bismuth oxyiodide; defect-tolerance; ns2 compounds; photovoltaics

Citation Formats

Hoye, Robert L. Z., Lee, Lana C., Kurchin, Rachel C., Huq, Tahmida N., Zhang, Kelvin H. L., Sponseller, Melany, Nienhaus, Lea, Brandt, Riley E., Jean, Joel, Polizzotti, James Alexander, Kursumovic, Ahmed, Bawendi, Moungi G., Bulovic, Vladimir, Stevanovic, Vladan, Buonassisi, Tonio, and MacManus-Driscoll, Judith L.. Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable Bismuth Oxyiodide (BiOI). United States: N. p., 2017. Web. doi:10.1002/adma.201702176.
Hoye, Robert L. Z., Lee, Lana C., Kurchin, Rachel C., Huq, Tahmida N., Zhang, Kelvin H. L., Sponseller, Melany, Nienhaus, Lea, Brandt, Riley E., Jean, Joel, Polizzotti, James Alexander, Kursumovic, Ahmed, Bawendi, Moungi G., Bulovic, Vladimir, Stevanovic, Vladan, Buonassisi, Tonio, & MacManus-Driscoll, Judith L.. Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable Bismuth Oxyiodide (BiOI). United States. doi:10.1002/adma.201702176.
Hoye, Robert L. Z., Lee, Lana C., Kurchin, Rachel C., Huq, Tahmida N., Zhang, Kelvin H. L., Sponseller, Melany, Nienhaus, Lea, Brandt, Riley E., Jean, Joel, Polizzotti, James Alexander, Kursumovic, Ahmed, Bawendi, Moungi G., Bulovic, Vladimir, Stevanovic, Vladan, Buonassisi, Tonio, and MacManus-Driscoll, Judith L.. 2017. "Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable Bismuth Oxyiodide (BiOI)". United States. doi:10.1002/adma.201702176.
@article{osti_1373141,
title = {Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable Bismuth Oxyiodide (BiOI)},
author = {Hoye, Robert L. Z. and Lee, Lana C. and Kurchin, Rachel C. and Huq, Tahmida N. and Zhang, Kelvin H. L. and Sponseller, Melany and Nienhaus, Lea and Brandt, Riley E. and Jean, Joel and Polizzotti, James Alexander and Kursumovic, Ahmed and Bawendi, Moungi G. and Bulovic, Vladimir and Stevanovic, Vladan and Buonassisi, Tonio and MacManus-Driscoll, Judith L.},
abstractNote = {Bismuth-based compounds have recently gained increasing attention as potentially nontoxic and defect-tolerant solar absorbers. However, many of the new materials recently investigated show limited photovoltaic performance. Herein, one such compound is explored in detail through theory and experiment: bismuth oxyiodide (BiOI). BiOI thin films are grown by chemical vapor transport and found to maintain the same tetragonal phase in ambient air for at least 197 d. The computations suggest BiOI to be tolerant to antisite and vacancy defects. All-inorganic solar cells (ITO|NiOx|BiOI|ZnO|Al) with negligible hysteresis and up to 80% external quantum efficiency under select monochromatic excitation are demonstrated. The short-circuit current densities and power conversion efficiencies under AM 1.5G illumination are nearly double those of previously reported BiOI solar cells, as well as other bismuth halide and chalcohalide photovoltaics recently explored by many groups. Through a detailed loss analysis using optical characterization, photoemission spectroscopy, and device modeling, direction for future improvements in efficiency is provided. In conclusion, this work demonstrates that BiOI, previously considered to be a poor photocatalyst, is promising for photovoltaics.},
doi = {10.1002/adma.201702176},
journal = {Advanced Materials},
number = 36,
volume = 29,
place = {United States},
year = 2017,
month = 7
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1002/adma.201702176

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  • Bismuth-based compounds have recently gained increasing attention as potentially nontoxic and defect-tolerant solar absorbers. However, many of the new materials recently investigated show limited photovoltaic performance. Herein, one such compound is explored in detail through theory and experiment: bismuth oxyiodide (BiOI). BiOI thin films are grown by chemical vapor transport and found to maintain the same tetragonal phase in ambient air for at least 197 d. The computations suggest BiOI to be tolerant to antisite and vacancy defects. All-inorganic solar cells (ITO|NiO x|BiOI|ZnO|Al) with negligible hysteresis and up to 80% external quantum efficiency under select monochromatic excitation are demonstrated. Themore » short-circuit current densities and power conversion efficiencies under AM 1.5G illumination are nearly double those of previously reported BiOI solar cells, as well as other bismuth halide and chalcohalide photovoltaics recently explored by many groups. Through a detailed loss analysis using optical characterization, photoemission spectroscopy, and device modeling, direction for future improvements in efficiency is provided. In conclusion, this work demonstrates that BiOI, previously considered to be a poor photocatalyst, is promising for photovoltaics.« less
  • Novel Ag/AgI/BiOI composites were controllably synthesized via a facile ion-exchange followed by photoreduction strategy by using hierarchical BiOI microflower as substrate. The as-prepared Ag/AgI/BiOI composites were studied by X-ray powder diffractometer (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) surface area analyzer and UV–vis diffuse reflectance spectroscopy (DRS). Under visible light (λ>420 nm), Ag/AgI/BiOI displayed highly enhanced photocatalytic activities for degradation of methyl orange (MO) compared to the pure hierarchical BiOI, which was mainly ascribed to the highly efficient separation of electrons and holes through the closely contacted interfaces in the Ag/AgI/BiOImore » ternary system. - Graphical abstract: Ag/AgI/BiOI displayed excellent photocatalytic activities for methyl orange degradation under visible light, which was mainly ascribed to the highly efficient separation of electrons and holes through Z-scheme pathway. Display Omitted - Highlights: • Novel Ag/AgI/BiOI composites were successfully synthesized. • Ag/AgI/BiOI displayed higher visible light activities than those of pure BiOI and AgI. • ·O{sub 2}{sup −} and h{sup +}, especially ·O{sub 2}{sup −}, dominated the photodegradation process of MO. • A Z-scheme pattern was adopted for Ag/AgI/BiOI activity enhancement.« less
  • Highlights: • The BiOI/Zn{sub 2}SnO{sub 4} photocatalysts were prepared by a mild wet chemical method. • The ZB-1/2 (Zn to Bi molar ratio = 1/2) exhibits the best photocatalytic activity. • The enhanced performance results from high separation of photogenerated carriers. - Abstract: New BiOI/Zn{sub 2}SnO{sub 4} p–n heterojunction photocatalysts were prepared by anchoring n-type Zn{sub 2}SnO{sub 4} nanoparticles on p-type BiOI plates. The physicochemical characteristics of the catalysts were studied by X-ray powder diffraction pattern (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectra (XPS), Ultraviolet visible (UV–vis) diffuse reflectance spectroscopy (DRS), nitrogen adsorption–desorption, and photoelectrochemistrymore » measurement. The as-prepared catalysts exhibited excellent photocatalytic activity for the decomposition of methyl orange (MO) under visible light irradiation. The enhanced photocatalytic performance of BiOI/Zn{sub 2}SnO{sub 4} was not only attributed to the matched band potentials but also the interconnected heterojunction of BiOI and Zn{sub 2}SnO{sub 4} nanoparticles.« less