Beyond thermodynamic defect models: A kinetic simulation of arsenic activation in CdTe

Krasikov, Dmitry; Sankin, Igor

doi:10.1103/physrevmaterials.2.103803

Cited by 24 publications

(21 citation statements)

References 41 publications

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“…The second (source) term in the RHS of Equation represents the net production rate R i (x,y,t) of i th species in all the elementary reactions. A detailed description of how this term is formulated could be found elsewhere …”

Section: Methodsmentioning

confidence: 99%

“…A detailed description of how this term is formulated could be found elsewhere. [10] The overall flux F of a mobile defect species is driven by the gradient of its electrochemical potential μ and is proportional to its concentration μ and diffusivity D:…”

Section: Governing Equationsmentioning

confidence: 99%

“…These include the diffusion and reaction barriers, the distribution of the electric field in semiconductor regions, as well as the surface processes that introduce reactants and remove products. An example of addressing the first two limitations could be found in a recent 0‐D simulation study of arsenic doping activation in CdTe; however, simulation in time‐space domain is still required to account for the spatial distributions. Although a 1‐D kinetic simulation of Cu doping formation in pure CdTe absorbers has been reported by Guo et al, the kinetics of Cu activation in chlorinated CdTe films is still pending detailed investigation.…”

Section: Introductionmentioning

confidence: 99%

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Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

Sankin

Krasikov

2019

Physica Status Solidi (a)

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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. 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.

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Section: Methodsmentioning

confidence: 99%

Section: Governing Equationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

Sankin

Krasikov

2019

Physica Status Solidi (a)

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“…[3][4][5] The origin of this doping limit has not been established, but theoretical studies suggest that it may be caused by the formation of self-compensating AX center or defect complex. [3][4][5][6] The AX center is formed due to a large lattice relaxation of the substitutional dopant, which results in conversion to a donor state. 3,5 It was recently reported that in situ Asdoping in polycrystalline thin film CdTeSe PV devices achieved greater than 20% power conversion efficiency, but dopant activation remained low (2-4%).…”

Section: Introductionmentioning

confidence: 99%

Growth and Characterization of Arsenic-Doped CdTe1−xSex Single Crystals Grown by the Cd-Solvent Traveling Heater Method

Nagaoka

Nishioka

Yoshino

et al. 2020

Journal of Elec Materi

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The photovoltaic performance of CdTe solar cells is mainly limited by low doping and short minority carrier lifetime. Group-V element doping and Sealloying have a significant impact on tuning these fundamental CdTe properties. In this paper, we report the growth of p-type As-doped, Cd-rich CdTe 1Àx Se x single crystals using metallic Cd as the solvent in the travelingheater method. The structural and electrical properties of CdTe 1Àx Se x are examined for different Se concentrations. CdTe 1Àx Se x single crystals (0 £ x £ 0.5) with zincblende structure indicate homogeneous composition. The 10 17 cm À3 As-doping activation efficiency can be maintained at close to 50% for x £ 0.2. Se alloying leads to bulk minority carrier lifetime exceeding 30 ns for samples doped near 10 17 cm À3. These results help us to overcome the current roadblocks in device performance.

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“…Capacitance–voltage ( C–V ), dual-wavelength time-resolved photoluminescence (TRPL), and external quantum efficiency (EQE) were used to better understand this difference. Guided by a theoretical understanding developed in the literature, we attribute the poor performance in reconstructed CdSeTe:As devices to (i) insufficient doping in the MZO emitter, (ii) increased interface recombination, likely due to chemically driven defect formation (particularly compensating defects in CdSeTe:As) − during MZO deposition, and (iii) a collapsed depletion region which greatly increases sensitivity to the front interface and exacerbates the impact of (i) and (ii). This highlights the importance of controlling front interface properties and defect chemistry in highly doped CdSeTe:As devices.…”

mentioning

confidence: 99%

Revealing the Importance of Front Interface Quality in Highly Doped CdSe_xTe_1–x Solar Cells

et al. 2021

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As carrier concentration improves in CdTe-based solar cells, modeling shows that the front interface becomes a bottleneck for performance. Optimization of the front interface has proven difficult, however, because it both is buried and evolves substantially during standard superstrate device processing. Here, we address both issues by cleaving state-ofthe-art superstrate CdSe x Te 1−x device stacks at the emitter/ absorber interface and reconstructing in the substrate configuration using a Mg y Zn 1−y O/ZnO:Al front contact. By comparing devices that were either copper-or arsenic-doped, the influence of front interface quality on low-doped and highly doped absorbers was studied, respectively. A much larger performance drop was observed for reconstructed arsenicdoped devices, which was attributed to insufficient emitter doping, formation of compensating defects at the front interface, and increased sensitivity to both effects due to a collapsed depletion region. This work highlights key challenges unique to highly doped CdSeTe:As devices that must be addressed moving forward.

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Beyond thermodynamic defect models: A kinetic simulation of arsenic activation in CdTe

Cited by 24 publications

References 41 publications

Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

Growth and Characterization of Arsenic-Doped CdTe1−xSex Single Crystals Grown by the Cd-Solvent Traveling Heater Method

Revealing the Importance of Front Interface Quality in Highly Doped CdSe_xTe_1–x Solar Cells

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Beyond thermodynamic defect models: A kinetic simulation of arsenic activation in CdTe

Cited by 24 publications

References 41 publications

Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

Growth and Characterization of Arsenic-Doped CdTe1−xSex Single Crystals Grown by the Cd-Solvent Traveling Heater Method

Revealing the Importance of Front Interface Quality in Highly Doped CdSexTe1–x Solar Cells

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Revealing the Importance of Front Interface Quality in Highly Doped CdSe_xTe_1–x Solar Cells