Triple_Conducting_Perovskite_Defect_Model

License(s):

GNU Free Documentation License No License Restrictions

GNU-Octave based scripts for solving defect thermodynamic model to generate Brouwer diagram of triple conducting perovskite as a function of temperature, P(O2)/P(H2O), or P(H2)/P(H2O) based on nonstoichiometry dependent defect formation energies and entropies.

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Authors

Citation (Click to Copy)

Title: Defect Thermodynamic Modeling of Triple Conducting Perovskites (La,Ba)Fe1-xMxO3- for Proton Conducting Solid-Oxide Cells
Authors: Yueh-Lin Lee, Yuhua Duan, Dan C. Sorescu, Wissam A. Saidi, Dane Morgan, Thomas Kalapos, William Epting, Gregory Hackett, and Harry Abernathy

1.Filename: lbfmo_dfm_03262024.m 
Description: GNU-Octave scripts for the solver of the defect model published in "Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba0.95La0.05FeO3−δ with Incorporation of the Hydride Defect Formation Reaction for Solid Oxide Cells".
Citation: Journal of The Electrochemical Society, 2024, DOI: 10.1149/1945-7111/ad9cc5

2.Filename: Defect_Model_Solution_Data_JES_2024.txt
Description: Solution dataset published in "Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba0.95La0.05FeO3−δ with Incorporation of the Hydride Defect Formation Reaction for Solid Oxide Cells", Journal of The Electrochemical Society, 2024, [DOI: 10.1149/1945-7111/ad9cc5]; generated from "lbfmo_dfm_03262024.m".
Citation: Journal of The Electrochemical Society, 2024, DOI: 10.1149/1945-7111/ad9cc5

3.Filename: bfyo_dfm_030802023_ecst.m
Description: GNU-Octave scripts for the solver of the defect model published in "Defect Thermodynamic Modeling of Triple Conducting Perovskites (La,Ba)Fe1-xMxO3-δ for Proton-Conducting Solid-Oxide Cells".
Citation: ECS Transactions, 111 (6) 1823-1838 (2023), DOI: 10.1149/11106.1823ecst

Keywords

OSTI Info

Field	Value
Dataset Type	AS
Contract Nos	FWP-1022478
Org Research Org	NETL
Language	English
Country	US
Sponsor Org	USDOE Office of Fossil Energy (FE)
Site Url	https://edx.netl.doe.gov/dataset/triple_conducting_perovskite_defect_model
Contact Name	Yueh-Lin Lee
Contact Org	National Energy Technology Laboratory
Doi	10.2172/2328139
Product Type	36f15409-ba10-49d8-bbf5-060e164d98ea
Medium Code	f3499d0a-aa6a-418d-8951-89466e57e4c4

Additional Info

Field	Value
Last Updated	December 19, 2024, 14:21 (LMT)
Created	March 8, 2023, 15:04 (LMT)
AI/ML Product	no
Citation	Title: Defect Thermodynamic Modeling of Triple Conducting Perovskites (La,Ba)Fe1-xMxO3- for Proton Conducting Solid-Oxide Cells Authors: Yueh-Lin Lee, Yuhua Duan, Dan C. Sorescu, Wissam A. Saidi, Dane Morgan, Thomas Kalapos, William Epting, Gregory Hackett, and Harry Abernathy 1.Filename: lbfmo_dfm_03262024.m Description: GNU-Octave scripts for the solver of the defect model published in "Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba0.95La0.05FeO3−δ with Incorporation of the Hydride Defect Formation Reaction for Solid Oxide Cells". Citation: Journal of The Electrochemical Society, 2024, DOI: 10.1149/1945-7111/ad9cc5 2.Filename: Defect_Model_Solution_Data_JES_2024.txt Description: Solution dataset published in "Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba0.95La0.05FeO3−δ with Incorporation of the Hydride Defect Formation Reaction for Solid Oxide Cells", Journal of The Electrochemical Society, 2024, [DOI: 10.1149/1945-7111/ad9cc5]; generated from "lbfmo_dfm_03262024.m". Citation: Journal of The Electrochemical Society, 2024, DOI: 10.1149/1945-7111/ad9cc5 3.Filename: bfyo_dfm_030802023_ecst.m Description: GNU-Octave scripts for the solver of the defect model published in "Defect Thermodynamic Modeling of Triple Conducting Perovskites (La,Ba)Fe1-xMxO3-δ for Proton-Conducting Solid-Oxide Cells". Citation: ECS Transactions, 111 (6) 1823-1838 (2023), DOI: 10.1149/11106.1823ecst
Geospatial	no
Netl Product	yes
Osti	yes
Poc Email	wissam.saidi@netl.doe.gov
Point Of Contact	Wissam Saidi
Program Or Project	RIC
Project Number	FWP-1022478