First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4-based thin-film photovoltaics

Varley, J. B.; Lordi, V.; He, X.; Rockett, A.

doi:10.1063/1.4939656

Title: First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4-based thin-film photovoltaics

Authors:

Varley, J. B. ^[1]; Lordi, V. ^[1];

^[2]; Rockett, A. ^[2]

Lawrence Livermore National Laboratory, Livermore, California 94550, USA
Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Publication Date:: Fri Jan 08 00:00:00 EST 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1234270

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Name: Journal of Applied Physics Journal Volume: 119 Journal Issue: 2; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Varley, J. B., Lordi, V., He, X., and Rockett, A. First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4-based thin-film photovoltaics.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4939656.

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                    Varley, J. B., Lordi, V., He, X., & Rockett, A. First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4-based thin-film photovoltaics.  United States.  https://doi.org/10.1063/1.4939656

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                    Varley, J. B., Lordi, V., He, X., and Rockett, A. Fri .  
"First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4-based thin-film photovoltaics".  United States.  https://doi.org/10.1063/1.4939656.

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@article{osti_1234270,

  title        = {First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4-based thin-film photovoltaics},

  author       = {Varley, J. B. and Lordi, V. and He, X. and Rockett, A.},

  abstractNote = {},

  doi          = {10.1063/1.4939656},

  journal      = {Journal of Applied Physics},

  number       = 2,

  volume       = 119,

  place        = {United States},

  year         = {Fri Jan 08 00:00:00 EST 2016},

  month        = {Fri Jan 08 00:00:00 EST 2016}

}

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Citation Formats

Energy band alignment in chalcogenide thin film solar cells from photoelectron spectroscopy journal, March 2015

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Beyond 11% Efficiency: Characteristics of State-of-the-Art Cu ₂ ZnSn(S,Se) ₄ Solar Cells
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Effect of sodium incorporation into CuInSe ₂ from first principles
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Experimental evidence of the self-compensation mechanism in CdS
journal, February 1999

Self-diffusion and the defect structure of cadmium sulfide
journal, August 1971

Diffusion and Solubility of Cu in CdS Single Crystals
journal, August 1969

Na incorporation into Cu(In,Ga)Se ₂ thin-film solar cell absorbers deposited on polyimide: Impact on the chemical and electronic surface structure
journal, February 2012

Studies on CdTe solar cell front contact properties using X-ray photoelectron spectroscopy
journal, October 2013

Native defect identification in II–VI materials
journal, April 1996

Formation of CdZnS thin films by Zn diffusion
journal, July 2006

Cu Migration and its Impact on the Metastable Behavior of CdTe Solar Cells
journal, January 2015

Electron Paramagnetic Resonance Studies of the ZnS‐ A and ‐ B Centers
journal, September 1962

Solar cell efficiency tables (version 44): Solar cell efficiency tables
journal, June 2014

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

Diffusion of Copper in Cadmium Sulfide Crystals
journal, July 1959

Direct evidence of Cd diffusion into Cu(In, Ga)Se2 thin films during chemical-bath deposition process of CdS films
journal, April 1999

Electrical properties of point defects in CdS and ZnS
journal, September 2013

Copper migration in cdte heterojunction solar cells
journal, July 1996

High-efficiency Cu(In,Ga)Se2 cells and modules
journal, December 2013

Buffer layers and transparent conducting oxides for chalcopyrite Cu(In,Ga)(S,Se)₂ based thin film photovoltaics: present status and current developments
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Zinc diffusion in polycrystalline Cu(In,Ga)Se2 and single-crystal CuInSe2 layers
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Characterisation of ZnSe and other II–VI semiconductors by radioactive dopants
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Doping limits in II–VI compounds — Challenges, problems and solutions
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An ultrasonic investigation of the diffusion of the noble metals in CdS
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Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S) ₂ and Cu ₂ ZnSn(Se,S) ₄ devices
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Potassium-induced surface modification of Cu(In,Ga)Se2 thin films for high-efficiency solar cells
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Some Peculiarities of Impurity Diffusion in CdS Crystals
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The role of impurities in refined ZnSe and other II–VI semiconductors
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Hydrogen donors in ${SnO}_{2}$ studied by infrared spectroscopy and first-principles calculations
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High-efficiency polycrystalline CdTe thin-film solar cells with an oxygenated amorphous cds (a-CdS:O) window layer
conference, January 2002

First-principles study of vacancy-assisted impurity diffusion in ZnO
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Effects of Sodium on Polycrystalline Cu(In,Ga)Se2 and Its Solar Cell Performance
journal, January 1998

Review of Progress Toward 20% Efficiency Flexible CIGS Solar Cells and Manufacturing Issues of Solar Modules
journal, January 2013

Compensating defects and electrical activation of donors in CdS
journal, December 1999

Band offsets of n-type electron-selective contacts on cuprous oxide (Cu2O) for photovoltaics
journal, December 2014

Semiconductors: Data Handbook
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