Tuning the Electronic Structure of LaNiO 3 through Alloying with Strontium to Enhance Oxygen Evolution Activity

Liu, Jishan; Jia, Endong; Wang, Le; Stoerzinger, Kelsey A.; Zhou, Hua; Tang, Chi Sin; Yin, Xinmao; He, Xu; Bousquet, Eric; Bowden, Mark E.; Wee, Andrew T. S.; Chambers, Scott A.; Du, Yingge

doi:10.1002/advs.201901073

Tuning the Electronic Structure of LaNiO ₃ through Alloying with Strontium to Enhance Oxygen Evolution Activity

Journal Article · Wed Aug 07 00:00:00 EDT 2019 · Advanced Science

DOI:https://doi.org/10.1002/advs.201901073· OSTI ID:1568921

Liu, Jishan ^[1]; Jia, Endong ^[2]; ^[3]; Stoerzinger, Kelsey A. ^[4]; Zhou, Hua ^[5]; Tang, Chi Sin ^[6]; Yin, Xinmao ^[7]; He, Xu ^[8]; Bousquet, Eric ^[8]; Bowden, Mark E. ^[9]; Wee, Andrew T. S. ^[7]; Chambers, Scott A. ^[3]; Du, Yingge ^[3]

State Key Laboratory of Functional Materials for InformaticsShanghai Institute of Microsystem and Information TechnologyChinese Academy of Sciences Shanghai 200050 China, Center for Excellence in Superconducting ElectronicsChinese Academy of Sciences Shanghai 200050 China, Physical and Computational Sciences DirectoratePacific Northwest National Laboratory Richland WA 99354 USA
Physical and Computational Sciences DirectoratePacific Northwest National Laboratory Richland WA 99354 USA, The Key Laboratory of Solar Thermal Energy and Photovoltaic SystemInstitute of Electrical EngineeringChinese Academy of Sciences Beijing 100190 China, Department of PhysicsUniversity of Chinese Academy of Sciences Beijing 100190 China
Physical and Computational Sciences DirectoratePacific Northwest National Laboratory Richland WA 99354 USA
Physical and Computational Sciences DirectoratePacific Northwest National Laboratory Richland WA 99354 USA, School of ChemicalBiological and Environmental EngineeringOregon State University Corvallis OR 97331 USA
X‐Ray Science DivisionAdvanced Photon SourceArgonne National Laboratory Lemont IL 60439 USA
Department of PhysicsFaculty of ScienceNational University of Singapore Singapore 117542 Singapore, NUS Graduate School for Integrative Sciences and EngineeringNational University of Singapore Singapore 117456 Singapore
Department of PhysicsFaculty of ScienceNational University of Singapore Singapore 117542 Singapore
Theoretical Materials PhysicsQ‐MATCesamUniversity of Liège B‐4000 Liège Belgium
Environmental Molecular Sciences LaboratoryPacific Northwest National Laboratory Richland WA 99354 USA

The perovskite oxide LaNiO₃ is a promising oxygen electrocatalyst for renewable energy storage and conversion technologies. Here, it is shown that strontium substitution for lanthanum in coherently strained, epitaxial LaNiO₃ films (La_1-x Sr_xNiO₃) significantly enhances the oxygen evolution reaction (OER) activity, resulting in performance at x = 0.5 comparable to the state-of-the-art catalyst Ba_0.5Sr_0.5Co_0.8Fe_0.2O_3-δ. By combining X-ray photoemission and X-ray absorption spectroscopies with density functional theory, it is shown that an upward energy shift of the O 2p band relative to the Fermi level occurs with increasing x in La_1-xSr_xNiO₃. This alloying step strengthens Ni 3d–O 2p hybridization and decreases the charge transfer energy, which in turn accounts for the enhanced OER activity.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; AC05-76RL01830

OSTI ID:: 1568921

Alternate ID(s):: OSTI ID: 1568923
OSTI ID: 1571524
OSTI ID: 1574233

Report Number(s):: PNNL-SA--141734; 1901073

Journal Information:: Advanced Science, Journal Name: Advanced Science Journal Issue: 19 Vol. 6; ISSN 2198-3844

Publisher:: WileyCopyright Statement

Country of Publication:: Germany

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Tuning the Electronic Structure of LaNiO 3 through Alloying with Strontium to Enhance Oxygen Evolution Activity

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Tuning the Electronic Structure of LaNiO ₃ through Alloying with Strontium to Enhance Oxygen Evolution Activity