Phase Identification of the Layered Perovskite CexSr2- xMnO4 and Application for Solar Thermochemical Water Splitting

Debora R. Barcellos; Francisco G. Coury; Antoine Emery; Michael Sanders; Jianhua Tong; Anthony McDaniel; Christopher Wolverton; Michael Kaufman; Ryan O'Hayre

doi:10.1021/acs.inorgchem.8b03487

Phase Identification of the Layered Perovskite Ce_xSr_{2- x}MnO₄ and Application for Solar Thermochemical Water Splitting

Debora R. Barcellos, Francisco G. Coury, Antoine Emery, Michael Sanders, Jianhua Tong, Anthony McDaniel, Christopher Wolverton, Michael Kaufman, Ryan O'Hayre^*

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Ruddlesden-Popper (layered perovskite) phases are attracting significant interest because of their unique potential for many applications requiring mixed ionic and electronic conductivity. Here we report a new, previously undiscovered layered perovskite of composition, Ce_xSr_2-xMnO₄ (x = 0.1, 0.2, and 0.3). Furthermore, we demonstrate that this new system is suitable for solar thermochemical hydrogen production (STCH). Synchrotron radiation X-ray diffraction and transmission electron microscopy are performed to characterize this new system. Density functional theory calculations of phase stability and oxygen vacancy formation energy (1.76, 2.24, and 2.66 eV/O atom, respectively with increasing Ce content) reinforce the potential of this phase for STCH application. Experimental hydrogen production results show that this materials system produces 2-3 times more hydrogen than the benchmark STCH oxide ceria at a reduction temperature of 1400 °C and an oxidation temperature of 1000 °C.

Original language	English (US)
Pages (from-to)	7705-7714
Number of pages	10
Journal	Inorganic chemistry
Volume	58
Issue number	12
DOIs	https://doi.org/10.1021/acs.inorgchem.8b03487
State	Published - Jun 17 2019

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/acs.inorgchem.8b03487

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@article{8eb767bd8bc64177a042e5dc260d2fd9,

title = "Phase Identification of the Layered Perovskite CexSr2- xMnO4 and Application for Solar Thermochemical Water Splitting",

abstract = "Ruddlesden-Popper (layered perovskite) phases are attracting significant interest because of their unique potential for many applications requiring mixed ionic and electronic conductivity. Here we report a new, previously undiscovered layered perovskite of composition, CexSr2-xMnO4 (x = 0.1, 0.2, and 0.3). Furthermore, we demonstrate that this new system is suitable for solar thermochemical hydrogen production (STCH). Synchrotron radiation X-ray diffraction and transmission electron microscopy are performed to characterize this new system. Density functional theory calculations of phase stability and oxygen vacancy formation energy (1.76, 2.24, and 2.66 eV/O atom, respectively with increasing Ce content) reinforce the potential of this phase for STCH application. Experimental hydrogen production results show that this materials system produces 2-3 times more hydrogen than the benchmark STCH oxide ceria at a reduction temperature of 1400 °C and an oxidation temperature of 1000 °C.",

author = "Barcellos, {Debora R.} and Coury, {Francisco G.} and Antoine Emery and Michael Sanders and Jianhua Tong and Anthony McDaniel and Christopher Wolverton and Michael Kaufman and Ryan O'Hayre",

note = "Funding Information: The authors would like to acknowledge the support of the 11-BM team in the use of the Advanced Photon Source at Argonne National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors gratefully acknowledge research support from the HydroGEN Advanced Water Splitting Materials Consortium, established as part of the Energy Materials Network under the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Award Number DE-EE0008087 and Award Number DE-EE0008089 (supporting DFT calculations). The electron microscopy work was supported by the Brazilian Centro Nacional de Pesquisa (CNPq) [Scholarship Process Number 233746/2014-5] and the Center for Advanced Non-Ferrous Structural Alloys (CANFSA), a National Science Foundation Industry/University Cooperative Research Center (I/UCRC) [Award No. 1624836], at the Colorado School of Mines (CSM), in Golden, CO, USA. Finally, we are grateful for the financial support [Scholarship Process Number BEX: 13452-13-4] provided by CAPES (Coordination for the Improvement of Higher Education Personnel) and the Science Without Borders Program granted by the Brazilian government. Funding Information: The authors would like to acknowledge the support of the 11-BM team in the use of the Advanced Photon Source at Argonne National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors gratefully acknowledge research support from the HydroGEN Advanced Water Splitting Materials Consortium, established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Award Number DE-EE0008087 and Award Number DE-EE0008089 (supporting DFT calculations). The electron microscopy work was supported by the Brazilian Centro Nacional de Pesquisa (CNPq) [Scholarship Process Number 233746/2014-5] and the Center for Advanced Non-Ferrous Structural Alloys (CANFSA), a National Science Foundation Industry/University Cooperative Research Center (I/UCRC) [Award No. 1624836], at the Colorado School of Mines (CSM), in Golden, CO, USA. Finally, we are grateful for the financial support [Scholarship Process Number BEX: 13452-13-4] provided by CAPES (Coordination for the Improvement of Higher Education Personnel) and the Science Without Borders Program granted by the Brazilian government. Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = jun,

day = "17",

doi = "10.1021/acs.inorgchem.8b03487",

language = "English (US)",

volume = "58",

pages = "7705--7714",

journal = "Inorganic Chemistry",

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publisher = "American Chemical Society",

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T1 - Phase Identification of the Layered Perovskite CexSr2- xMnO4 and Application for Solar Thermochemical Water Splitting

AU - Barcellos, Debora R.

AU - Coury, Francisco G.

AU - Emery, Antoine

AU - Sanders, Michael

AU - Tong, Jianhua

AU - McDaniel, Anthony

AU - Wolverton, Christopher

AU - Kaufman, Michael

AU - O'Hayre, Ryan

N1 - Funding Information: The authors would like to acknowledge the support of the 11-BM team in the use of the Advanced Photon Source at Argonne National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors gratefully acknowledge research support from the HydroGEN Advanced Water Splitting Materials Consortium, established as part of the Energy Materials Network under the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Award Number DE-EE0008087 and Award Number DE-EE0008089 (supporting DFT calculations). The electron microscopy work was supported by the Brazilian Centro Nacional de Pesquisa (CNPq) [Scholarship Process Number 233746/2014-5] and the Center for Advanced Non-Ferrous Structural Alloys (CANFSA), a National Science Foundation Industry/University Cooperative Research Center (I/UCRC) [Award No. 1624836], at the Colorado School of Mines (CSM), in Golden, CO, USA. Finally, we are grateful for the financial support [Scholarship Process Number BEX: 13452-13-4] provided by CAPES (Coordination for the Improvement of Higher Education Personnel) and the Science Without Borders Program granted by the Brazilian government. Funding Information: The authors would like to acknowledge the support of the 11-BM team in the use of the Advanced Photon Source at Argonne National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors gratefully acknowledge research support from the HydroGEN Advanced Water Splitting Materials Consortium, established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Award Number DE-EE0008087 and Award Number DE-EE0008089 (supporting DFT calculations). The electron microscopy work was supported by the Brazilian Centro Nacional de Pesquisa (CNPq) [Scholarship Process Number 233746/2014-5] and the Center for Advanced Non-Ferrous Structural Alloys (CANFSA), a National Science Foundation Industry/University Cooperative Research Center (I/UCRC) [Award No. 1624836], at the Colorado School of Mines (CSM), in Golden, CO, USA. Finally, we are grateful for the financial support [Scholarship Process Number BEX: 13452-13-4] provided by CAPES (Coordination for the Improvement of Higher Education Personnel) and the Science Without Borders Program granted by the Brazilian government. Publisher Copyright: © 2019 American Chemical Society.

PY - 2019/6/17

Y1 - 2019/6/17

N2 - Ruddlesden-Popper (layered perovskite) phases are attracting significant interest because of their unique potential for many applications requiring mixed ionic and electronic conductivity. Here we report a new, previously undiscovered layered perovskite of composition, CexSr2-xMnO4 (x = 0.1, 0.2, and 0.3). Furthermore, we demonstrate that this new system is suitable for solar thermochemical hydrogen production (STCH). Synchrotron radiation X-ray diffraction and transmission electron microscopy are performed to characterize this new system. Density functional theory calculations of phase stability and oxygen vacancy formation energy (1.76, 2.24, and 2.66 eV/O atom, respectively with increasing Ce content) reinforce the potential of this phase for STCH application. Experimental hydrogen production results show that this materials system produces 2-3 times more hydrogen than the benchmark STCH oxide ceria at a reduction temperature of 1400 °C and an oxidation temperature of 1000 °C.

AB - Ruddlesden-Popper (layered perovskite) phases are attracting significant interest because of their unique potential for many applications requiring mixed ionic and electronic conductivity. Here we report a new, previously undiscovered layered perovskite of composition, CexSr2-xMnO4 (x = 0.1, 0.2, and 0.3). Furthermore, we demonstrate that this new system is suitable for solar thermochemical hydrogen production (STCH). Synchrotron radiation X-ray diffraction and transmission electron microscopy are performed to characterize this new system. Density functional theory calculations of phase stability and oxygen vacancy formation energy (1.76, 2.24, and 2.66 eV/O atom, respectively with increasing Ce content) reinforce the potential of this phase for STCH application. Experimental hydrogen production results show that this materials system produces 2-3 times more hydrogen than the benchmark STCH oxide ceria at a reduction temperature of 1400 °C and an oxidation temperature of 1000 °C.

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ER -

Phase Identification of the Layered Perovskite Ce_xSr_{2- x}MnO₄ and Application for Solar Thermochemical Water Splitting

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CSD 1873756: Experimental Crystal Structure Determination

CSD 1873755: Experimental Crystal Structure Determination

CSD 1873754: Experimental Crystal Structure Determination

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Phase Identification of the Layered Perovskite CexSr2- xMnO4 and Application for Solar Thermochemical Water Splitting

Abstract

ASJC Scopus subject areas

UN SDGs

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Datasets

CSD 1873756: Experimental Crystal Structure Determination

CSD 1873755: Experimental Crystal Structure Determination

CSD 1873754: Experimental Crystal Structure Determination

Cite this

Phase Identification of the Layered Perovskite Ce_xSr_{2- x}MnO₄ and Application for Solar Thermochemical Water Splitting