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

被引：30

作者：

Barcellos, Debora R. ^{[1
]}

Coury, Francisco G. ^{[1
]}

Emery, Antoine ^{[2
]}

Sanders, Michael ^{[1
]}

Tong, Jianhua ^{[3
]}

McDaniel, Anthony ^{[4
]}

Wolverton, Christopher ^{[2
]}

Kaufman, Michael ^{[1
]}

O'Hayre, Ryan ^{[1
]}

机构：

[1] Colorado Sch Mines, Met & Mat Engn Dept, Golden, CO 80401 USA

[2] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA

[3] Clemson Univ, Dept Mat Sci & Engn, Clemson, SC USA

[4] Sandia Natl Labs, Livermore, CA USA

来源：

INORGANIC CHEMISTRY | 2019年 / 58卷 / 12期

基金：

美国国家科学基金会;

关键词：

VACANCY FORMATION ENERGETICS; TOTAL-ENERGY CALCULATIONS; ELECTRICAL-CONDUCTIVITY; HYDROGEN-PRODUCTION; OXIDE; TRANSPORT; CHEMISTRY; CRYSTAL; H-2;

D O I：

10.1021/acs.inorgchem.8b03487

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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 degrees C and an oxidation temperature of 1000 degrees C.

引用

页码：7705 / 7714

页数：10

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