Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers
Abstract
This paper reports on 1D kinetic modeling of p-type doping formation in Cu-doped chlorinated CdSeTe photovoltaic (PV) absorbers with graded Se profiles. Following the recent progress in kinetic simulations of the defect chemistry in stoichiometric CdTe films, this work extends simulation capabilities to a domain of semiconductor alloy films with graded stoichiometries. The defect formation energies and ionization levels, as well as the diffusion and reaction barriers used in the reaction-diffusion equations are calculated from the first principles. A new formalism is employed to account for the uncertainty of the defect formation energies in semiconductor alloys caused by unknown local surrounding. Finally, the developed methodology is used to model a practical fabrication process of p-type doping formation in graded CdSeTe absorbers and to study the effect of alloy stoichiometry on the doping activation.
- Publication Date:
- Research Org.:
- Arizona State Univ., Tempe, AZ (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
- OSTI Identifier:
- 1592014
- Alternate Identifier(s):
- OSTI ID: 1503064
- Grant/Contract Number:
- EE0007536; EE0006344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physica Status Solidi. A, Applications and Materials Science
- Additional Journal Information:
- Journal Volume: 216; Journal Issue: 15; Journal ID: ISSN 1862-6300
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 14 SOLAR ENERGY; Cu doping; CdTe; Solar Cells; Absorbers; defect chemistry; kinetic simulations; thin‐film photovoltaics
Citation Formats
Sankin, Igor, and Krasikov, Dmitry. Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers. United States: N. p., 2019.
Web. doi:10.1002/pssa.201800887.
Sankin, Igor, & Krasikov, Dmitry. Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers. United States. https://doi.org/10.1002/pssa.201800887
Sankin, Igor, and Krasikov, Dmitry. Tue .
"Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers". United States. https://doi.org/10.1002/pssa.201800887. https://www.osti.gov/servlets/purl/1592014.
@article{osti_1592014,
title = {Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers},
author = {Sankin, Igor and Krasikov, Dmitry},
abstractNote = {This paper reports on 1D kinetic modeling of p-type doping formation in Cu-doped chlorinated CdSeTe photovoltaic (PV) absorbers with graded Se profiles. Following the recent progress in kinetic simulations of the defect chemistry in stoichiometric CdTe films, this work extends simulation capabilities to a domain of semiconductor alloy films with graded stoichiometries. The defect formation energies and ionization levels, as well as the diffusion and reaction barriers used in the reaction-diffusion equations are calculated from the first principles. A new formalism is employed to account for the uncertainty of the defect formation energies in semiconductor alloys caused by unknown local surrounding. Finally, the developed methodology is used to model a practical fabrication process of p-type doping formation in graded CdSeTe absorbers and to study the effect of alloy stoichiometry on the doping activation.},
doi = {10.1002/pssa.201800887},
journal = {Physica Status Solidi. A, Applications and Materials Science},
number = 15,
volume = 216,
place = {United States},
year = {2019},
month = {3}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 13 works
Citation information provided by
Web of Science
Web of Science
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:
The Chemistry of Imperfect Crystals
journal, October 1964
- Kröger, F. A.; Nachtrieb, Norman H.
- Physics Today, Vol. 17, Issue 10
Beyond thermodynamic defect models: A kinetic simulation of arsenic activation in CdTe
journal, October 2018
- Krasikov, D.; Sankin, I.
- Physical Review Materials, Vol. 2, Issue 10
Numerical Simulation of Copper Migration in Single Crystal CdTe
journal, September 2016
- Guo, Da; Fang, Tian; Moore, Andrew
- IEEE Journal of Photovoltaics, Vol. 6, Issue 5
Chemical trends of defect formation and doping limit in II-VI semiconductors: The case of CdTe
journal, October 2002
- Wei, Su-Huai; Zhang, S. B.
- Physical Review B, Vol. 66, Issue 15
Practical doping principles
journal, July 2003
- Zunger, Alex
- Applied Physics Letters, Vol. 83, Issue 1
Bowing of the defect formation energy in semiconductor alloys
journal, June 2013
- Ma, Jie; Wei, Su-Huai
- Physical Review B, Vol. 87, Issue 24
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Carrier density and compensation in semiconductors with multiple dopants and multiple transition energy levels: Case of Cu impurities in CdTe
journal, June 2011
- Ma, Jie; Wei, Su-Huai; Gessert, T. A.
- Physical Review B, Vol. 83, Issue 24
First-principles multiple-barrier diffusion theory: The case study of interstitial diffusion in CdTe
journal, February 2015
- Yang, Ji-Hui; Park, Ji-Sang; Kang, Joongoo
- Physical Review B, Vol. 91, Issue 7
Review on first-principles study of defect properties of CdTe as a solar cell absorber
journal, July 2016
- Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang
- Semiconductor Science and Technology, Vol. 31, Issue 8
Energetics and Electronic Properties of Interstitial Chlorine in CdTe
journal, October 2018
- Orellana, Walter; Menéndez-Proupin, Eduardo; Flores, Mauricio A.
- physica status solidi (b), Vol. 256, Issue 3
Self-consistent simulation of CdTe solar cells with active defects
journal, July 2015
- Brinkman, Daniel; Guo, Da; Akis, Richard
- Journal of Applied Physics, Vol. 118, Issue 3
First-principles calculations for point defects in solids
journal, March 2014
- Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann
- Reviews of Modern Physics, Vol. 86, Issue 1
Structural and electronic properties of CdTe 1-x Se x films and their application in solar cells
journal, August 2018
- Lingg, Martina; Spescha, Annina; Haass, Stefan G.
- Science and Technology of Advanced Materials, Vol. 19, Issue 1
Defect interactions and the role of complexes in the CdTe solar cell absorber
journal, January 2017
- Krasikov, Dmitry; Sankin, Igor
- Journal of Materials Chemistry A, Vol. 5, Issue 7
Polycrystalline CdSeTe/CdTe Absorber Cells With 28 mA/cm 2 Short-Circuit Current
journal, January 2018
- Munshi, Amit H.; Kephart, Jason; Abbas, Ali
- IEEE Journal of Photovoltaics, Vol. 8, Issue 1
First-principles-based analysis of the influence of Cu on CdTe electronic properties
journal, May 2013
- Krasikov, D.; Knizhnik, A.; Potapkin, B.
- Thin Solid Films, Vol. 535
Works referencing / citing this record:
Radiative Efficiency and Charge‐Carrier Lifetimes and Diffusion Length in Polycrystalline CdSeTe Heterostructures
journal, December 2019
- Kuciauskas, Darius; Moseley, John; Ščajev, Patrik
- physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 3
Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides
journal, April 2020
- Mannodi-Kanakkithodi, Arun; Toriyama, Michael Y.; Sen, Fatih G.
- npj Computational Materials, Vol. 6, Issue 1
Radiative Efficiency and Charge‐Carrier Lifetimes and Diffusion Length in Polycrystalline CdSeTe Heterostructures
journal, January 2020
- Kuciauskas, Darius; Moseley, John; Ščajev, Patrik
- physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 3