Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: P-type conductivity in Sn-doped Sb 2 Se 3

Abstract

Abstract Antimony selenide (Sb 2 Se 3 ) is a promising absorber material for thin-film photovoltaics. However, certain areas of fundamental understanding of this material remain incomplete and this presents a barrier to further efficiency gains. In particular, recent studies have highlighted the role of majority carrier type and extrinsic doping in drastically changing the performance of high efficiency devices (Hobson et al 2020 Chem. Mater. 32 2621–30). Herein, Sn-doped Sb 2 Se 3 bulk crystals are shown to exhibit p-type conductivity using Hall effect and hot-probe measurements. The measured conductivities are higher than those achieved through native defects alone, but with a carrier density (up to 7.4 × 10 14  cm −3 ) several orders of magnitude smaller than the quantity of Sn included in the source material. Additionally, a combination of ultraviolet, x-ray and hard x-ray photoemission spectroscopies are employed to obtain a non-destructive depth profile of the valence band maximum, confirming p-type conductivity and indicating a majority carrier type inversion layer at the surface. Finally, these results are supported by density functional theory calculations of the defect formation energies in Sn-doped Sb 2 Se 3 , showing a possible limit on the carrier concentration achievable with Snmore » as a dopant. This study sheds light on the effectiveness of Sn as a p-type dopant in Sb 2 Se 3 and highlights avenues for further optimisation of doped Sb 2 Se 3 for solar energy devices.« less

Authors:
ORCiD logo; ; ; ; ; ; ORCiD logo; ; ; ; ; ORCiD logo; ; ; ORCiD logo; ORCiD logo;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1890008
Alternate Identifier(s):
OSTI ID: 1886959
Grant/Contract Number:  
SC0016371
Resource Type:
Published Article
Journal Name:
JPhys Energy
Additional Journal Information:
Journal Name: JPhys Energy Journal Volume: 4 Journal Issue: 4; Journal ID: ISSN 2515-7655
Publisher:
IOP Publishing
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Hobson, Theodore D. C., Shiel, Huw, Savory, Christopher N., Swallow, Jack E. N., Jones, Leanne A. H., Featherstone, Thomas J., Smiles, Matthew J., Thakur, Pardeep K., Lee, Tien-Lin, Das, Bhaskar, Leighton, Chris, Zoppi, Guillaume, Dhanak, Vin R., Scanlon, David O., Veal, Tim D., Durose, Ken, and Major, Jonathan D. P-type conductivity in Sn-doped Sb 2 Se 3. United Kingdom: N. p., 2022. Web. doi:10.1088/2515-7655/ac91a6.
Copy to clipboard
Hobson, Theodore D. C., Shiel, Huw, Savory, Christopher N., Swallow, Jack E. N., Jones, Leanne A. H., Featherstone, Thomas J., Smiles, Matthew J., Thakur, Pardeep K., Lee, Tien-Lin, Das, Bhaskar, Leighton, Chris, Zoppi, Guillaume, Dhanak, Vin R., Scanlon, David O., Veal, Tim D., Durose, Ken, & Major, Jonathan D. P-type conductivity in Sn-doped Sb 2 Se 3. United Kingdom. https://doi.org/10.1088/2515-7655/ac91a6
Copy to clipboard
Hobson, Theodore D. C., Shiel, Huw, Savory, Christopher N., Swallow, Jack E. N., Jones, Leanne A. H., Featherstone, Thomas J., Smiles, Matthew J., Thakur, Pardeep K., Lee, Tien-Lin, Das, Bhaskar, Leighton, Chris, Zoppi, Guillaume, Dhanak, Vin R., Scanlon, David O., Veal, Tim D., Durose, Ken, and Major, Jonathan D. Thu . "P-type conductivity in Sn-doped Sb 2 Se 3". United Kingdom. https://doi.org/10.1088/2515-7655/ac91a6.
Copy to clipboard
@article{osti_1890008,
title = {P-type conductivity in Sn-doped Sb 2 Se 3},
author = {Hobson, Theodore D. C. and Shiel, Huw and Savory, Christopher N. and Swallow, Jack E. N. and Jones, Leanne A. H. and Featherstone, Thomas J. and Smiles, Matthew J. and Thakur, Pardeep K. and Lee, Tien-Lin and Das, Bhaskar and Leighton, Chris and Zoppi, Guillaume and Dhanak, Vin R. and Scanlon, David O. and Veal, Tim D. and Durose, Ken and Major, Jonathan D.},
abstractNote = {Abstract Antimony selenide (Sb 2 Se 3 ) is a promising absorber material for thin-film photovoltaics. However, certain areas of fundamental understanding of this material remain incomplete and this presents a barrier to further efficiency gains. In particular, recent studies have highlighted the role of majority carrier type and extrinsic doping in drastically changing the performance of high efficiency devices (Hobson et al 2020 Chem. Mater. 32 2621–30). Herein, Sn-doped Sb 2 Se 3 bulk crystals are shown to exhibit p-type conductivity using Hall effect and hot-probe measurements. The measured conductivities are higher than those achieved through native defects alone, but with a carrier density (up to 7.4 × 10 14  cm −3 ) several orders of magnitude smaller than the quantity of Sn included in the source material. Additionally, a combination of ultraviolet, x-ray and hard x-ray photoemission spectroscopies are employed to obtain a non-destructive depth profile of the valence band maximum, confirming p-type conductivity and indicating a majority carrier type inversion layer at the surface. Finally, these results are supported by density functional theory calculations of the defect formation energies in Sn-doped Sb 2 Se 3 , showing a possible limit on the carrier concentration achievable with Sn as a dopant. This study sheds light on the effectiveness of Sn as a p-type dopant in Sb 2 Se 3 and highlights avenues for further optimisation of doped Sb 2 Se 3 for solar energy devices.},
doi = {10.1088/2515-7655/ac91a6},
journal = {JPhys Energy},
number = 4,
volume = 4,
place = {United Kingdom},
year = {Thu Sep 29 00:00:00 EDT 2022},
month = {Thu Sep 29 00:00:00 EDT 2022}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1088/2515-7655/ac91a6
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Band alignment of Sb2O3 and Sb2Se3
journal, June 2021

  • Shiel, Huw; Hobson, Theodore D. C.; Hutter, Oliver S.
  • Journal of Applied Physics, Vol. 129, Issue 23
  • DOI: 10.1063/5.0055366

Liquid encapsulated crystal growth and electrical properties of Sb 2 Se 3 and Bi 2 S 3
journal, February 1991

Defect properties of Sb 2 Se 3 thin film solar cells and bulk crystals
journal, June 2020

  • Hobson, Theodore D. C.; Phillips, Laurie J.; Hutter, Oliver S.
  • Applied Physics Letters, Vol. 116, Issue 26
  • DOI: 10.1063/5.0012697

Calculations of electron inelastic mean free paths. III. Data for 15 inorganic compounds over the 50-2000 eV range
journal, December 1991

  • Tanuma, S.; Powell, C. J.; Penn, D. R.
  • Surface and Interface Analysis, Vol. 17, Issue 13
  • DOI: 10.1002/sia.740171305

Projector augmented-wave method
journal, December 1994

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Current Enhancement via a TiO2 Window Layer for CSS Sb2Se3 Solar Cells: Performance Limits and High V oc
journal, March 2019

  • Phillips, Laurie J.; Savory, Christopher N.; Hutter, Oliver S.
  • IEEE Journal of Photovoltaics, Vol. 9, Issue 2
  • DOI: 10.1109/JPHOTOV.2018.2885836

Identifying Raman modes of Sb2Se3 and their symmetries using angle-resolved polarised Raman spectra
journal, January 2020

  • Fleck, Nicole; Hobson, Theodore D. C.; Savory, Christopher N.
  • Journal of Materials Chemistry A, Vol. 8, Issue 17
  • DOI: 10.1039/D0TA01783C

Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006

  • Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F.
  • The Journal of Chemical Physics, Vol. 125, Issue 22
  • DOI: 10.1063/1.2404663

Crystal Growth Promotion and Defects Healing Enable Minimum Open‐Circuit Voltage Deficit in Antimony Selenide Solar Cells
journal, January 2022

  • Liang, Guangxing; Chen, Mingdong; Ishaq, Muhammad
  • Advanced Science, Vol. 9, Issue 9
  • DOI: 10.1002/advs.202105142

Enhanced Sb 2 Se 3 solar cell performance through theory-guided defect control: Enhanced Sb 2 Se 3 solar cell performance
journal, May 2017

  • Liu, Xinsheng; Xiao, Xun; Yang, Ye
  • Progress in Photovoltaics: Research and Applications, Vol. 25, Issue 10
  • DOI: 10.1002/pip.2900

Enhanced electrical conductivity and photoconductive properties of Sn-doped Sb 2 Se 3 crystals
journal, January 2018

  • Chen, Shuo; Qiao, Xvsheng; Zheng, Zhuanghao
  • Journal of Materials Chemistry C, Vol. 6, Issue 24
  • DOI: 10.1039/C8TC01683F

Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells
journal, February 2020

  • Stoliaroff, Adrien; Lecomte, Alicia; Rubel, Oleg
  • ACS Applied Energy Materials, Vol. 3, Issue 3
  • DOI: 10.1021/acsaem.9b02192

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
journal, January 2009

Thermal evaporation and characterization of superstrate CdS/Sb 2 Se 3 solar cells
journal, April 2014

  • Luo, Miao; Leng, Meiying; Liu, Xinsheng
  • Applied Physics Letters, Vol. 104, Issue 17
  • DOI: 10.1063/1.4874878

Protocols for the Miller indexing of Sb2Se3 and a non-x-ray method of orienting its single crystals
journal, June 2021

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Sb 5s2 lone pairs and band alignment of Sb2Se3: a photoemission and density functional theory study
journal, January 2020

  • Don, Christopher H.; Shiel, Huw; Hobson, Theodore D. C.
  • Journal of Materials Chemistry C, Vol. 8, Issue 36
  • DOI: 10.1039/D0TC03470C

High-Resolution X-Ray Photoemission Spectrum of the Valence Bands of Gold
journal, June 1972

Anisotropic charge screening and supercell size convergence of defect formation energies
journal, March 2013

Intrinsic Electron Accumulation at Clean InN Surfaces
journal, January 2004

Isotype Heterojunction Solar Cells Using n-Type Sb2Se3 Thin Films
journal, March 2020

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008

A review of Sb2Se3 photovoltaic absorber materials and thin-film solar cells
journal, May 2020

Accurate description of van der Waals complexes by density functional theory including empirical corrections
journal, January 2004

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 25, Issue 12
  • DOI: 10.1002/jcc.20078

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Potential resolution to the doping puzzle in iron pyrite: Carrier type determination by Hall effect and thermopower
journal, June 2017

Efficiency improvement of Sb2Se3 solar cells based on La-doped SnO2 buffer layer
journal, July 2019

Ion doping simultaneously increased the carrier density and modified the conduction type of Sb2Se3 thin films towards quasi-homojunction solar cell
journal, November 2021

Origin of photoluminescence from antimony selenide
journal, March 2020

Sb2Se3 versus Sb2S3 solar cell: A numerical simulation
journal, November 2021

p‐Type Antimony Selenide via Lead Doping
journal, November 2021

    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: