Abstract:Solar
thermochemical hydrogen production (STCH) is a renewable
alternative to hydrogen production using fossil fuels. While serial
bulk experimental methods can accurately measure STCH performance,
screening chemically complex materials systems for new promising candidates
is more challenging. Here we identify double-site Ce-substituted (Ba,Sr)MnO3 oxide perovskites as promising STCH candidates using a combination
of bulk synthesis and high-throughput thin-film experiments. The Ce
substitution on the B-site i… Show more
“…This experimental workflow at NREL has been benchmarked against other laboratories. 14 , 15 Other publications demonstrate the range of materials chemistries (e.g., oxides, 16 nitrides, 17 chalcogenides, 18 Li-containing materials, 19 intermetallics) 20 and properties (e.g., optoelectronic, 21 electronic, 22 piezoelectric, 23 photoelectrochemical, 24 thermochemical) 25 to which these HTE methods have been applied. Figure 2 Experimental and data workflows for high-throughput materials research The workflow starts with (A) experiment design, then material samples are (B) produced, (C) treated, (D) measured, and (E) stored in archives.…”
Section: Resultsmentioning
confidence: 99%
“…This experimental workflow at NREL has been benchmarked against other laboratories. 14,15 Other publications demonstrate the range of materials chemistries (e.g., oxides, 16 nitrides, 17 chalcogenides, 18 Li-containing materials, 19 intermetallics) 20 and properties (e.g., optoelectronic, 21 electronic, 22 piezoelectric, 23 photoelectrochemical, 24 thermochemical) 25 to which these HTE methods have been applied.…”
Summary
The High-Throughput Experimental Materials Database (HTEM-DB,
htem.nrel.gov
) is a repository of inorganic thin-film materials data collected during combinatorial experiments at the National Renewable Energy Laboratory (NREL). This data asset is enabled by NREL's Research Data Infrastructure (RDI), a set of custom data tools that collect, process, and store experimental data and metadata. Here, we describe the experimental data flow from the RDI to the HTEM-DB to illustrate the strategies and best practices currently used for materials data at NREL. Integration of the data tools with experimental instruments establishes a data communication pipeline between experimental researchers and data scientists. This work motivates the creation of similar workflows at other institutions to aggregate valuable data and increase their usefulness for future machine learning studies. In turn, such data-driven studies can greatly accelerate the pace of discovery and design in the materials science domain.
“…This experimental workflow at NREL has been benchmarked against other laboratories. 14 , 15 Other publications demonstrate the range of materials chemistries (e.g., oxides, 16 nitrides, 17 chalcogenides, 18 Li-containing materials, 19 intermetallics) 20 and properties (e.g., optoelectronic, 21 electronic, 22 piezoelectric, 23 photoelectrochemical, 24 thermochemical) 25 to which these HTE methods have been applied. Figure 2 Experimental and data workflows for high-throughput materials research The workflow starts with (A) experiment design, then material samples are (B) produced, (C) treated, (D) measured, and (E) stored in archives.…”
Section: Resultsmentioning
confidence: 99%
“…This experimental workflow at NREL has been benchmarked against other laboratories. 14,15 Other publications demonstrate the range of materials chemistries (e.g., oxides, 16 nitrides, 17 chalcogenides, 18 Li-containing materials, 19 intermetallics) 20 and properties (e.g., optoelectronic, 21 electronic, 22 piezoelectric, 23 photoelectrochemical, 24 thermochemical) 25 to which these HTE methods have been applied.…”
Summary
The High-Throughput Experimental Materials Database (HTEM-DB,
htem.nrel.gov
) is a repository of inorganic thin-film materials data collected during combinatorial experiments at the National Renewable Energy Laboratory (NREL). This data asset is enabled by NREL's Research Data Infrastructure (RDI), a set of custom data tools that collect, process, and store experimental data and metadata. Here, we describe the experimental data flow from the RDI to the HTEM-DB to illustrate the strategies and best practices currently used for materials data at NREL. Integration of the data tools with experimental instruments establishes a data communication pipeline between experimental researchers and data scientists. This work motivates the creation of similar workflows at other institutions to aggregate valuable data and increase their usefulness for future machine learning studies. In turn, such data-driven studies can greatly accelerate the pace of discovery and design in the materials science domain.
“…Doping scheme of perovskites is another research content, and a series of doped perovskites as redox materials have been reported. 143 , 144 , 145 , 146 , 147 , 148 , 149 , 150 , 151 Typical perovskites materials include lanthanum-manganite perovskites, lanthanum-cobalt perovskites, and yttrium-manganese perovskites. For lanthanum-manganite perovskites, the most studied is La 1− x Sr x MnO 3 .…”
“…Oxide materials with perovskite structure constitute a large and versatile class of compounds characterized by a general formula of ABO 3 , where numerous A and B metal elements can be accommodated . These materials exhibit a wide spectrum of electrical properties, from metallic or superconducting to semiconducting or insulating, thus rendering them subjects of extensive exploration across various applications. , Notably, perovskite compounds doped with acceptor ions have gained substantial attention due to their efficacy as solid electrolytes in proton-conducting solid oxide electrolysis cells (H-SOECs) and solid oxide fuel cells (SOFCs), solar thermochemical hydrogen production (STCH), and chemical sensors . These electrochemical applications are enabled by the facile transport of protons within the perovskite lattice, which is characterized by low activation barriers for high proton conductivity .…”
Yttrium-doped barium zirconate (BZY) has garnered attention as a protonic conductor in intermediate-temperature electrolysis and fuel cells due to its high bulk proton conductivity and excellent chemical stability. However, the performance of BZY can be further enhanced by reducing the concentration and resistance of grain boundaries. In this study, we investigate the impact of manganese (Mn) additives on the sinterability and proton conductivity of Y-doped BaZrO 3 (BZY). By employing a combinatorial pulsed laser deposition (PLD) technique, we synthesized BZY thin films with varying Mn concentrations and sintering temperatures. Our results revealed a significant enhancement in sinterability as Mn concentrations increased, leading to larger grain sizes and lower grain boundary concentrations. These improvements can be attributed to the elevated grain boundary diffusion of zirconium (Zr) cations, which enhances material densification. We also observed a reduction in Goldschmidt's tolerance factor with increased Mn substitution, which can improve proton transport. The high proton conduction of BZY with Mn additives in low-temperature and wet hydrogen environments makes it a promising candidate for protonic ceramic electrolysis cells and fuel cells. Our findings not only advance the understanding of Mn additives in BZY materials but also demonstrate a high-throughput combinatorial thin film approach to select additives for other perovskite materials with importance in mass and charge transport applications.
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