The role of Sb in solar cell material Cu2ZnSnS4

Zhang, Xiaoli; Han, Miaomiao; Zeng, Zhi; Duan, Yuhua

doi:10.1039/C7TA01090G

Title: The role of Sb in solar cell material Cu₂ZnSnS₄

Abstract

In this paper, based on first-principles calculations we report a possible mechanism of the efficiency improvement of the Sb-doped Cu₂ZnSnS₄ (CZTS) solar cells from the Sb-related defect point of view. Different from Sb in CuInSe₂ which substituted the Cu atomic site and acted as group-13 elements on the Cu-poor growth condition, we find out that Sb prefers to substitute Sn atomic site and acts as group-14 elements on the Cu-poor growth condition in CZTS. At low Sb concentration, Sb_Sn produces a deep defect level which is detrimental for the solar cell application. At high Sb concentration, Sb 5s states form an isolated half-filled intermediate band at 0.5 eV above the valence band maximum which will increase the photocurrent as well as the solar cell efficiency.

Authors:

^[1]; Han, Miaomiao ^[2]; Zeng, Zhi ^[2]; Duan, Yuhua ^[3]

Chinese Academy of Sciences, Hefei (China)
Chinese Academy of Sciences, Hefei (China); Univ. of Science and Technology of China, Hefei (China)
National Energy Technology Lab. (NETL), Pittsburgh, PA (United States)

Publication Date:: Fri Mar 03 00:00:00 EST 2017

Research Org.:: National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

Sponsoring Org.:: USDOE Office of Fossil Energy (FE)

OSTI Identifier:: 1346866

Report Number(s):: NETL-PUB-21032
Journal ID: ISSN 2050-7488; JMCAET

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Materials Chemistry. A

Additional Journal Information:: Journal Volume: 5; Journal Issue: 14; Journal ID: ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 14 SOLAR ENERGY; 36 MATERIALS SCIENCE

Citation Formats


                    Zhang, Xiaoli, Han, Miaomiao, Zeng, Zhi, and Duan, Yuhua. The role of Sb in solar cell material Cu2ZnSnS4.  United States: N. p., 2017. 
Web.  doi:10.1039/C7TA01090G.

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                    Zhang, Xiaoli, Han, Miaomiao, Zeng, Zhi, & Duan, Yuhua. The role of Sb in solar cell material Cu2ZnSnS4.  United States.  https://doi.org/10.1039/C7TA01090G

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                    Zhang, Xiaoli, Han, Miaomiao, Zeng, Zhi, and Duan, Yuhua. Fri .  
"The role of Sb in solar cell material Cu2ZnSnS4".  United States.  https://doi.org/10.1039/C7TA01090G.  https://www.osti.gov/servlets/purl/1346866.

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@article{osti_1346866,

  title        = {The role of Sb in solar cell material Cu2ZnSnS4},

  author       = {Zhang, Xiaoli and Han, Miaomiao and Zeng, Zhi and Duan, Yuhua},

  abstractNote = {In this paper, based on first-principles calculations we report a possible mechanism of the efficiency improvement of the Sb-doped Cu2ZnSnS4 (CZTS) solar cells from the Sb-related defect point of view. Different from Sb in CuInSe2 which substituted the Cu atomic site and acted as group-13 elements on the Cu-poor growth condition, we find out that Sb prefers to substitute Sn atomic site and acts as group-14 elements on the Cu-poor growth condition in CZTS. At low Sb concentration, SbSn produces a deep defect level which is detrimental for the solar cell application. At high Sb concentration, Sb 5s states form an isolated half-filled intermediate band at 0.5 eV above the valence band maximum which will increase the photocurrent as well as the solar cell efficiency.},

  doi          = {10.1039/C7TA01090G},

  journal      = {Journal of Materials Chemistry. A},

  number       = 14,

  volume       = 5,

  place        = {United States},

  year         = {Fri Mar 03 00:00:00 EST 2017},

  month        = {Fri Mar 03 00:00:00 EST 2017}

}

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Works referenced in this record:

Properties of Cu(In,Ga)Se ₂ solar cells with new record efficiencies up to 21.7% : Properties of Cu(In,Ga)Se
journal, December 2014

Jackson, Philip; Hariskos, Dimitrios; Wuerz, Roland
physica status solidi (RRL) - Rapid Research Letters, Vol. 9, Issue 1
DOI: 10.1002/pssr.201409520

Device Characteristics of CZTSSe Thin-Film Solar Cells with 12.6% Efficiency
journal, November 2013

Wang, Wei; Winkler, Mark T.; Gunawan, Oki
Advanced Energy Materials, Vol. 4, Issue 7, Article No. 1301465
DOI: 10.1002/aenm.201301465

Optimization of CIGS-Based PV Device through Antimony Doping
journal, January 2010

Yuan, Min; Mitzi, David B.; Liu, Wei
Chemistry of Materials, Vol. 22, Issue 2, p. 285-287
DOI: 10.1021/cm903428f

First-principles calculations for defects and impurities: Applications to III-nitrides
journal, April 2004

Van de Walle, Chris G.; Neugebauer, Jörg
Journal of Applied Physics, Vol. 95, Issue 8
DOI: 10.1063/1.1682673

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Effects of Na on the electrical and structural properties of CuInSe2
journal, May 1999

Wei, Su-Huai; Zhang, S. B.; Zunger, Alex
Journal of Applied Physics, Vol. 85, Issue 10
DOI: 10.1063/1.370534

Structural and optical characterization of Sb-doped CuInS2 thin films grown by vacuum evaporation method
journal, September 2003

Akaki, Y.; Komaki, H.; Yokoyama, H.
Journal of Physics and Chemistry of Solids, Vol. 64, Issue 9-10
DOI: 10.1016/S0022-3697(03)00249-X

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

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

Tuning the Band Gap of Cu ₂ ZnSn(S,Se) ₄ Thin Films via Lithium Alloying
journal, February 2016

Yang, Yanchun; Kang, Xiaojiao; Huang, Lijian
ACS Applied Materials & Interfaces, Vol. 8, Issue 8
DOI: 10.1021/acsami.5b11535

Effects of Sb-doping on the grain growth of Cu(In, Ga)Se2 thin films fabricated by means of single-target sputtering
journal, January 2013

Zhang, Shu; Wu, Lu; Yue, Ruoyu
Thin Solid Films, Vol. 527
DOI: 10.1016/j.tsf.2012.11.037

Photovoltaic materials: Present efficiencies and future challenges
journal, April 2016

Polman, A.; Knight, M.; Garnett, E. C.
Science, Vol. 352, Issue 6283
DOI: 10.1126/science.aad4424

$n$ -type doping of $CuIn {Se}_{2}$ and $CuGa {Se}_{2}$
journal, July 2005

Persson, Clas; Zhao, Yu-Jun; Lany, Stephan
Physical Review B, Vol. 72, Issue 3
DOI: 10.1103/PhysRevB.72.035211

Antimony assisted low-temperature processing of CuIn1−xGaxSe2−ySy solar cells
journal, November 2010

Yuan, Min; Mitzi, David B.; Gunawan, Oki
Thin Solid Films, Vol. 519, Issue 2
DOI: 10.1016/j.tsf.2010.08.135

Redirecting focus in CuInSe $_{2}$ research towards selenium-related defects
journal, October 2012

Oikkonen, L. E.; Ganchenkova, M. G.; Seitsonen, A. P.
Physical Review B, Vol. 86, Issue 16
DOI: 10.1103/PhysRevB.86.165115

Electrical and optical properties of CuZnSnS thin films prepared by rf magnetron sputtering process
journal, January 2003

Seol, J.; Lee, S.; Lee, J.
Solar Energy Materials and Solar Cells, Vol. 75, Issue 1-2
DOI: 10.1016/S0927-0248(02)00127-7

Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion
journal, October 1991

Zhang, S.; Northrup, John
Physical Review Letters, Vol. 67, Issue 17
DOI: 10.1103/PhysRevLett.67.2339

Defect properties of Sb- and Bi-doped CuInSe2: The effect of the deep lone-pair s states
journal, December 2014

Park, Ji-Sang; Yang, Ji-Hui; Ramanathan, Kannan
Applied Physics Letters, Vol. 105, Issue 24
DOI: 10.1063/1.4904223

Effects of Bi Incorporation on Cu(In _{1- x} ,Ga _x )Se ₂ Thin Films and Solar Cells
journal, October 2012

Nakakoba, Hiroya; Yatsushiro, Yuta; Mise, Takahiro
Japanese Journal of Applied Physics, Vol. 51, Issue 10S
DOI: 10.7567/JJAP.51.10NC24

Synthesis of Cu ₂ ZnSnS ₄ Nanocrystal Ink and Its Use for Solar Cells
journal, August 2009

Guo, Qijie; Hillhouse, Hugh W.; Agrawal, Rakesh
Journal of the American Chemical Society, Vol. 131, Issue 33
DOI: 10.1021/ja904981r

Incorporation of Li dopant into Cu ₂ ZnSnSe ₄ photovoltaic absorber: hybrid-functional calculations
journal, November 2015

Ghorbani, Elaheh; Mirhosseini, Hossein; Kiss, Janos
Journal of Physics D: Applied Physics, Vol. 48, Issue 48
DOI: 10.1088/0022-3727/48/48/482001

Potassium-induced surface modification of Cu(In,Ga)Se2 thin films for high-efficiency solar cells
journal, November 2013

Chirilă, Adrian; Reinhard, Patrick; Pianezzi, Fabian
Nature Materials, Vol. 12, Issue 12
DOI: 10.1038/nmat3789

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

Lany, Stephan; Zunger, Alex
Physical Review B, Vol. 78, Issue 23, Article No. 235104
DOI: 10.1103/PhysRevB.78.235104

Intermediate bands versus levels in non-radiative recombination
journal, June 2006

Luque, Antonio; Martí, Antonio; Antolín, Elisa
Physica B: Condensed Matter, Vol. 382, Issue 1-2
DOI: 10.1016/j.physb.2006.03.006

Density functional theory calculations of defect energies using supercells
journal, November 2009

Castleton, C. W. M.; Höglund, A.; Mirbt, S.
Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 8
DOI: 10.1088/0965-0393/17/8/084003

Towards sustainable materials for solar energy conversion: Preparation and photoelectrochemical characterization of Cu2ZnSnS4
journal, April 2008

Scragg, Jonathan J.; Dale, Phillip J.; Peter, Laurence M.
Electrochemistry Communications, Vol. 10, Issue 4
DOI: 10.1016/j.elecom.2008.02.008

Evaluation of the efficiency potential of intermediate band solar cells based on thin-film chalcopyrite materials
journal, April 2008

Martí, Antonio; Marrón, David Fuertes; Luque, Antonio
Journal of Applied Physics, Vol. 103, Issue 7
DOI: 10.1063/1.2901213

Finite-size supercell correction schemes for charged defect calculations
journal, July 2012

Komsa, Hannu-Pekka; Rantala, Tapio T.; Pasquarello, Alfredo
Physical Review B, Vol. 86, Issue 4
DOI: 10.1103/PhysRevB.86.045112

Surfactant modified growth of CuInSe2 thin films
journal, February 1996

Tseng, Bae-Heng; Chang, Geon-Wen; Gu, Gin-Lern
Applied Surface Science, Vol. 92
DOI: 10.1016/0169-4332(95)00235-9

Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961

Shockley, William; Queisser, Hans J.
Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519
DOI: 10.1063/1.1736034

The effects of dopant impurities on Cu2ZnSnS4 system Raman properties
journal, November 2014

Sarswat, Prashant K.; Free, Michael L.
Journal of Materials Science, Vol. 50, Issue 4
DOI: 10.1007/s10853-014-8722-1

Effects of Sodium on Polycrystalline Cu(In,Ga)Se2 and Its Solar Cell Performance
journal, January 1998

Kronik, Leeor.; Cahen, David; Schock, Hans Werner
Advanced Materials, Vol. 10, Issue 1
DOI: 10.1002/(SICI)1521-4095(199801)10:1<31::AID-ADMA31>3.0.CO;2-3

Structural, electrical and optical properties of Bi-doped CuInS2 thin films grown by vacuum evaporation method
journal, September 2006

Akaki, Y.; Matsuo, H.; Yoshino, K.
physica status solidi (c), Vol. 3, Issue 8
DOI: 10.1002/pssc.200669626

Intrinsic point defects and complexes in the quaternary kesterite semiconductor ${Cu}_{2} {ZnSnS}_{4}$
journal, June 2010

Chen, Shiyou; Yang, Ji-Hui; Gong, X. G.
Physical Review B, Vol. 81, Issue 24
DOI: 10.1103/PhysRevB.81.245204

Cu ₂ ZnSnS ₄ Thin Films Generated from a Single Solution Based Precursor: The Effect of Na and Sb Doping
journal, July 2016

Tiwari, Devendra; Koehler, Tristan; Lin, Xianzhong
Chemistry of Materials, Vol. 28, Issue 14
DOI: 10.1021/acs.chemmater.6b01499

Deep electron traps and origin of $p$ -type conductivity in the earth-abundant solar-cell material Cu $_{2}$ ZnSnS $_{4}$
journal, April 2013

Han, Dong; Sun, Y. Y.; Bang, Junhyeok
Physical Review B, Vol. 87, Issue 15
DOI: 10.1103/PhysRevB.87.155206

Intrinsic point defects in CuInSe $_{2}$ and CuGaSe $_{2}$ as seen via screened-exchange hybrid density functional theory
journal, June 2013

Pohl, Johan; Albe, Karsten
Physical Review B, Vol. 87, Issue 24
DOI: 10.1103/PhysRevB.87.245203

The instability of S vacancies in Cu ₂ ZnSnS ₄
journal, January 2016

Zhang, Xiaoli; Han, Miaomiao; Zeng, Zhi
RSC Advances, Vol. 6, Issue 19
DOI: 10.1039/C5RA24585K

Works referencing / citing this record:

Antimony‐Doped Tin Oxide as Transparent Back Contact in Cu ₂ ZnSnS ₄ Thin‐Film Solar Cells
journal, September 2019

Englund, Sven; Kubart, Tomas; Keller, Jan
physica status solidi (a), Vol. 216, Issue 22
DOI: 10.1002/pssa.201900542

Screening of suitable cationic dopants for solar absorber material CZTS/Se: A first principles study
journal, November 2019

Jyothirmai, M. V.; Saini, Himanshu; Park, Noejung
Scientific Reports, Vol. 9, Issue 1
DOI: 10.1038/s41598-019-52410-3

Intermediate band solar cell materials through the doping of group-VA elements (N, P, As and Sb) in Cu ₂ ZnSiSe ₄
journal, January 2019

Jibran, Muhammad; Sun, Xia; Wang, Bing
RSC Advances, Vol. 9, Issue 48
DOI: 10.1039/c9ra06236j

Impact of various dopant elements on the properties of kesterite compounds for solar cell applications: a status review
journal, January 2019

Dhawale, Dattatray S.; Ali, Adnan; Lokhande, Abhishek C.
Sustainable Energy & Fuels, Vol. 3, Issue 6
DOI: 10.1039/c9se00040b

Performance enhancement of Cu ₂ ZnSn(S,Se)4 solar cell by inserting Sb and Sb ₂ Se ₃ doping layer at the bottom of CZTS precursor
journal, December 2019

Sun, Luanhong; Shen, Honglie; Yang, Jinghe
Materials Research Express, Vol. 6, Issue 12
DOI: 10.1088/2053-1591/ab4bee

Doping and alloying of kesterites
journal, August 2019

Romanyuk, Yaroslav E.; Haass, Stefan G.; Giraldo, Sergio
Journal of Physics: Energy, Vol. 1, Issue 4
DOI: 10.1088/2515-7655/ab23bc

Investigation of single phase $C u_{2} ZnS n_{x} S b_{1 - x} S_{4}$ compounds processed by mechanochemical synthesis
journal, July 2018

Neves, F.; Stark, A.; Schell, N.
Physical Review Materials, Vol. 2, Issue 7
DOI: 10.1103/physrevmaterials.2.075404

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Title: The role of Sb in solar cell material Cu2ZnSnS4

Abstract

Citation Formats

Properties of Cu(In,Ga)Se 2 solar cells with new record efficiencies up to 21.7% : Properties of Cu(In,Ga)Se journal, December 2014

Device Characteristics of CZTSSe Thin-Film Solar Cells with 12.6% Efficiency journal, November 2013

Optimization of CIGS-Based PV Device through Antimony Doping journal, January 2010

First-principles calculations for defects and impurities: Applications to III-nitrides journal, April 2004

Projector augmented-wave method journal, December 1994

Effects of Na on the electrical and structural properties of CuInSe2 journal, May 1999

Structural and optical characterization of Sb-doped CuInS2 thin films grown by vacuum evaporation method journal, September 2003

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

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

Tuning the Band Gap of Cu 2 ZnSn(S,Se) 4 Thin Films via Lithium Alloying journal, February 2016

Effects of Sb-doping on the grain growth of Cu(In, Ga)Se2 thin films fabricated by means of single-target sputtering journal, January 2013

Photovoltaic materials: Present efficiencies and future challenges journal, April 2016

n -type doping of CuIn Se 2 and CuGa Se 2 journal, July 2005

Antimony assisted low-temperature processing of CuIn1−xGaxSe2−ySy solar cells journal, November 2010

Redirecting focus in CuInSe 2 research towards selenium-related defects journal, October 2012

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Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion journal, October 1991

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Effects of Bi Incorporation on Cu(In 1- x ,Ga x )Se 2 Thin Films and Solar Cells journal, October 2012

Synthesis of Cu 2 ZnSnS 4 Nanocrystal Ink and Its Use for Solar Cells journal, August 2009

Incorporation of Li dopant into Cu 2 ZnSnSe 4 photovoltaic absorber: hybrid-functional calculations journal, November 2015

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Surfactant modified growth of CuInSe2 thin films journal, February 1996

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The effects of dopant impurities on Cu2ZnSnS4 system Raman properties journal, November 2014

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Structural, electrical and optical properties of Bi-doped CuInS2 thin films grown by vacuum evaporation method journal, September 2006

Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu 2 ZnSnS 4 journal, June 2010

Cu 2 ZnSnS 4 Thin Films Generated from a Single Solution Based Precursor: The Effect of Na and Sb Doping journal, July 2016

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Projector augmented-wave method
journal, December 1994

Effects of Na on the electrical and structural properties of CuInSe2
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Structural and optical characterization of Sb-doped CuInS2 thin films grown by vacuum evaporation method
journal, September 2003

Hybrid functionals based on a screened Coulomb potential
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journal, July 1996

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journal, January 2013

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journal, July 2005

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journal, October 2012

Electrical and optical properties of CuZnSnS thin films prepared by rf magnetron sputtering process
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Defect properties of Sb- and Bi-doped CuInSe2: The effect of the deep lone-pair s states
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journal, October 2012

Synthesis of Cu ₂ ZnSnS ₄ Nanocrystal Ink and Its Use for Solar Cells
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journal, November 2015

Potassium-induced surface modification of Cu(In,Ga)Se2 thin films for high-efficiency solar cells
journal, November 2013

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

Intermediate bands versus levels in non-radiative recombination
journal, June 2006

Density functional theory calculations of defect energies using supercells
journal, November 2009

Towards sustainable materials for solar energy conversion: Preparation and photoelectrochemical characterization of Cu2ZnSnS4
journal, April 2008

Evaluation of the efficiency potential of intermediate band solar cells based on thin-film chalcopyrite materials
journal, April 2008

Finite-size supercell correction schemes for charged defect calculations
journal, July 2012

Surfactant modified growth of CuInSe2 thin films
journal, February 1996

Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961

The effects of dopant impurities on Cu2ZnSnS4 system Raman properties
journal, November 2014

Effects of Sodium on Polycrystalline Cu(In,Ga)Se2 and Its Solar Cell Performance
journal, January 1998

Structural, electrical and optical properties of Bi-doped CuInS2 thin films grown by vacuum evaporation method
journal, September 2006

Intrinsic point defects and complexes in the quaternary kesterite semiconductor ${Cu}_{2} {ZnSnS}_{4}$
journal, June 2010

Cu ₂ ZnSnS ₄ Thin Films Generated from a Single Solution Based Precursor: The Effect of Na and Sb Doping
journal, July 2016

Deep electron traps and origin of $p$ -type conductivity in the earth-abundant solar-cell material Cu $_{2}$ ZnSnS $_{4}$
journal, April 2013

Intrinsic point defects in CuInSe $_{2}$ and CuGaSe $_{2}$ as seen via screened-exchange hybrid density functional theory
journal, June 2013

The instability of S vacancies in Cu ₂ ZnSnS ₄
journal, January 2016

Antimony‐Doped Tin Oxide as Transparent Back Contact in Cu ₂ ZnSnS ₄ Thin‐Film Solar Cells
journal, September 2019

Screening of suitable cationic dopants for solar absorber material CZTS/Se: A first principles study
journal, November 2019

Intermediate band solar cell materials through the doping of group-VA elements (N, P, As and Sb) in Cu ₂ ZnSiSe ₄
journal, January 2019

Impact of various dopant elements on the properties of kesterite compounds for solar cell applications: a status review
journal, January 2019

Performance enhancement of Cu ₂ ZnSn(S,Se)4 solar cell by inserting Sb and Sb ₂ Se ₃ doping layer at the bottom of CZTS precursor
journal, December 2019

Doping and alloying of kesterites
journal, August 2019

Investigation of single phase $C u_{2} ZnS n_{x} S b_{1 - x} S_{4}$ compounds processed by mechanochemical synthesis
journal, July 2018