Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation

Minzhen  Wen; Baotong  Guo; Shanghuan Chen; Xiao Hu; Xuejun Fan; Guoqi Zhang; Jiajie Fan

doi:10.1109/EuroSimE56861.2023.10100750

Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation

Minzhen Wen, Baotong Guo, Shanghuan Chen, Xiao Hu, Xuejun Fan, Guoqi Zhang, Jiajie Fan

Electronic Components, Technology and Materials

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific › peer-review

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Abstract

The (Ca, Sr) AlSiN₃:Eu²⁺(CSASN:Eu) red phosphor is widely used to improve color rendering of high-power phosphor-converted lighting diode (pc-WLED), but it is always unstable under high temperature and high humidity environments. Therefore, the studies on the temperature and humidity resistance of red phosphors and their aging mechanism have become essential to evaluate its reliability in harsh applications. In this paper, the pressure cooker test (PCT) and 85°C&85% RH aging test were carried out for the CSASN:Eu red phosphors. And, its hydrolysis reaction-driven degradation mechanism was simulated and analyzed based on first-principle calculation, in which the optimized adsorption of simplified CaAlSiN3(CASN) and H2 O was simulated based on Density Function Theory (DFT) and the specific aging process was analyzed by the charge density difference and ab initio molecular dynamics (AIMD). The experimental results showed that the photoluminescence performance of CSASN:Eu red phosphor dropped gradually and finally disappeared under PCT aging, and its temperature-dependent degradation kinetics followed the Arrhenius model well. Meanwhile, the simulation results indicate that the CASN, reacted with H2 O when the H atoms had a tendency to approach N atoms. Both the temperature and humidity could accelerate the hydrolysis reaction rate.

Original language	English
Title of host publication	Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE)
Publisher	IEEE
Pages	1-7
Number of pages	7
ISBN (Electronic)	979-8-3503-4597-1
ISBN (Print)	979-8-3503-4598-8
DOIs	https://doi.org/10.1109/EuroSimE56861.2023.10100750
Publication status	Published - 2023
Event	2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE) - Graz, Austria Duration: 16 Apr 2023 → 19 Apr 2023 Conference number: 24th

Publication series

Name	2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023

Conference

Conference	2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE)
Country/Territory	Austria
City	Graz
Period	16/04/23 → 19/04/23

Bibliographical note

Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care
Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

Keywords

Degradation
Resistance
Simulation
Phosphors
Humidity
Aging
Rendering (computer graphics)

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10.1109/EuroSimE56861.2023.10100750

Hydrolysis_Mechanism_Analysis_of_Ca_SrAlSiNEu_Red_Phosphor_Aged_Under_Pressure_Cooker_Test_and_85Camp85RH_Test_Kinetics_Modeling_and_First-principles_CalculationFinal published version, 5.48 MB

Cite this

Wen, M., Guo, B., Chen, S., Hu, X., Fan, X., Zhang, G., & Fan, J. (2023). Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation. In Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE) (pp. 1-7). (2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023). IEEE. https://doi.org/10.1109/EuroSimE56861.2023.10100750

Wen, Minzhen ; Guo, Baotong ; Chen, Shanghuan et al. / Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation. Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE). IEEE, 2023. pp. 1-7 (2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023).

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title = "Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation",

abstract = "The (Ca, Sr) AlSiN₃:Eu²⁺(CSASN:Eu) red phosphor is widely used to improve color rendering of high-power phosphor-converted lighting diode (pc-WLED), but it is always unstable under high temperature and high humidity environments. Therefore, the studies on the temperature and humidity resistance of red phosphors and their aging mechanism have become essential to evaluate its reliability in harsh applications. In this paper, the pressure cooker test (PCT) and 85°C&85% RH aging test were carried out for the CSASN:Eu red phosphors. And, its hydrolysis reaction-driven degradation mechanism was simulated and analyzed based on first-principle calculation, in which the optimized adsorption of simplified CaAlSiN3(CASN) and H2 O was simulated based on Density Function Theory (DFT) and the specific aging process was analyzed by the charge density difference and ab initio molecular dynamics (AIMD). The experimental results showed that the photoluminescence performance of CSASN:Eu red phosphor dropped gradually and finally disappeared under PCT aging, and its temperature-dependent degradation kinetics followed the Arrhenius model well. Meanwhile, the simulation results indicate that the CASN, reacted with H2 O when the H atoms had a tendency to approach N atoms. Both the temperature and humidity could accelerate the hydrolysis reaction rate.",

keywords = "Degradation, Resistance, Simulation, Phosphors, Humidity, Aging, Rendering (computer graphics)",

author = "Minzhen Wen and Baotong Guo and Shanghuan Chen and Xiao Hu and Xuejun Fan and Guoqi Zhang and Jiajie Fan",

note = "Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.; 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE) ; Conference date: 16-04-2023 Through 19-04-2023",

year = "2023",

doi = "10.1109/EuroSimE56861.2023.10100750",

language = "English",

isbn = "979-8-3503-4598-8",

series = "2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023",

publisher = "IEEE",

pages = "1--7",

booktitle = "Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE)",

address = "United States",

}

Wen, M, Guo, B, Chen, S, Hu, X, Fan, X, Zhang, G & Fan, J 2023, Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation. in Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE). 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023, IEEE, pp. 1-7, 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE), Graz, Austria, 16/04/23. https://doi.org/10.1109/EuroSimE56861.2023.10100750

Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation. / Wen, Minzhen ; Guo, Baotong ; Chen, Shanghuan et al.
Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE). IEEE, 2023. p. 1-7 (2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023).

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific › peer-review

TY - GEN

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AU - Wen, Minzhen

AU - Guo, Baotong

AU - Chen, Shanghuan

AU - Hu, Xiao

AU - Fan, Xuejun

AU - Zhang, Guoqi

AU - Fan, Jiajie

N1 - Conference code: 24th

PY - 2023

Y1 - 2023

N2 - The (Ca, Sr) AlSiN₃:Eu²⁺(CSASN:Eu) red phosphor is widely used to improve color rendering of high-power phosphor-converted lighting diode (pc-WLED), but it is always unstable under high temperature and high humidity environments. Therefore, the studies on the temperature and humidity resistance of red phosphors and their aging mechanism have become essential to evaluate its reliability in harsh applications. In this paper, the pressure cooker test (PCT) and 85°C&85% RH aging test were carried out for the CSASN:Eu red phosphors. And, its hydrolysis reaction-driven degradation mechanism was simulated and analyzed based on first-principle calculation, in which the optimized adsorption of simplified CaAlSiN3(CASN) and H2 O was simulated based on Density Function Theory (DFT) and the specific aging process was analyzed by the charge density difference and ab initio molecular dynamics (AIMD). The experimental results showed that the photoluminescence performance of CSASN:Eu red phosphor dropped gradually and finally disappeared under PCT aging, and its temperature-dependent degradation kinetics followed the Arrhenius model well. Meanwhile, the simulation results indicate that the CASN, reacted with H2 O when the H atoms had a tendency to approach N atoms. Both the temperature and humidity could accelerate the hydrolysis reaction rate.

AB - The (Ca, Sr) AlSiN₃:Eu²⁺(CSASN:Eu) red phosphor is widely used to improve color rendering of high-power phosphor-converted lighting diode (pc-WLED), but it is always unstable under high temperature and high humidity environments. Therefore, the studies on the temperature and humidity resistance of red phosphors and their aging mechanism have become essential to evaluate its reliability in harsh applications. In this paper, the pressure cooker test (PCT) and 85°C&85% RH aging test were carried out for the CSASN:Eu red phosphors. And, its hydrolysis reaction-driven degradation mechanism was simulated and analyzed based on first-principle calculation, in which the optimized adsorption of simplified CaAlSiN3(CASN) and H2 O was simulated based on Density Function Theory (DFT) and the specific aging process was analyzed by the charge density difference and ab initio molecular dynamics (AIMD). The experimental results showed that the photoluminescence performance of CSASN:Eu red phosphor dropped gradually and finally disappeared under PCT aging, and its temperature-dependent degradation kinetics followed the Arrhenius model well. Meanwhile, the simulation results indicate that the CASN, reacted with H2 O when the H atoms had a tendency to approach N atoms. Both the temperature and humidity could accelerate the hydrolysis reaction rate.

KW - Degradation

KW - Resistance

KW - Simulation

KW - Phosphors

KW - Humidity

KW - Aging

KW - Rendering (computer graphics)

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DO - 10.1109/EuroSimE56861.2023.10100750

M3 - Conference contribution

SN - 979-8-3503-4598-8

T3 - 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023

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PB - IEEE

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Y2 - 16 April 2023 through 19 April 2023

ER -

Wen M, Guo B, Chen S, Hu X, Fan X, Zhang G et al. Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation. In Proceedings of the 2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE). IEEE. 2023. p. 1-7. (2023 24th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2023). doi: 10.1109/EuroSimE56861.2023.10100750

Hydrolysis Mechanism Analysis of (Ca, Sr)AlSiN₃:Eu²⁺ Red Phosphor Aged Under Pressure Cooker Test and 85°C&85%RH Test: Kinetics Modeling and First-principles Calculation

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