Revealing direct atomic structure and electrostatic maps of the Ruddlesden-Popper faults in LaNiO3 perovskite

Zhu，Yuanmin1; Liao，Ping1; Xing，Wandong2; Liu，Jiayu1; Cui，Jizhe3; Jin，Cai4; Chen，Lang4; Wang，Biao1; Yu，Rong3

2023-12-25

10.1016/j.jallcom.2023.172375

Journal of Alloys and Compounds   影响因子和分区

0925-8388

Ruddlesden-Popper (RP) faults in perovskites as one type of the anti-phase boundaries provide a versatile platform to manipulate the magnetic, conducting, and magnetoresistance properties in the complex oxides. Local fine structure at the boundaries containing light atoms is a key factor to understand the underlying structure-function relationship due to their interfaces mediated effects. In this work, the atomic structure, chemical distribution and electronic structure of typical RP faults in perovskite LaNiO and its epitaxial nanocomposite films on a SrTiO substrate were systematically investigated combining high-resolution scanning transmission electron microscopy (STEM) and density functional theory (DFT) calculations. Integrated differential phase contrast (iDPC) STEM imaging results demonstrate a NiO-(LaO-LaO)-NiO atomic configuration with content fluctuations of oxygen at the RP faults. Atomic electronic energy loss spectroscopy results and DFT calculations illustrate that Ni cations have mixed valence of Ni, Ni at the RP faults accompanying with oxygen environment fluctuations affected by the non-stoichiometric bonding. This study offers a comprehensive route to explore intriguing chemical structures and physical properties in the homointerface structure at the atomic level.

Atomic structure imaging DFT calculations LaNiO3 films Ruddlesden-Popper faults

SCI ; EI

英语

其他

WOS:001098968700001

20234114874413

Atoms ; Chemical bonds ; Density functional theory ; Electron energy loss spectroscopy ; Electron scattering ; Energy dissipation ; High resolution transmission electron microscopy ; Lanthanum compounds ; Nickel oxide ; Oxygen ; Perovskite ; Perovskite solar cells ; Scanning electron microscopy ; Strontium titanates ; Substrates

Minerals:482.2 ; Energy Losses (industrial and residential):525.4 ; Solar Cells:702.3 ; Optical Devices and Systems:741.3 ; Physical Chemistry:801.4 ; Chemical Products Generally:804 ; Inorganic Compounds:804.2 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

MATERIALS SCIENCE

2-s2.0-85173916807

Scopus

1.Research Institute of Interdisciplinary Science & School of Materials Science and Engineering,Dongguan University of Technology,Dongguan,523808,China
2.State Key Laboratory of Photocatalysis on Energy and Environment,College of Chemistry,Fuzhou University,Fuzhou,350002,China
3.National Center for Electron Microscopy in Beijing,School of Materials Science and Engineering,Tsinghua University,Beijing,100084,China
4.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China

Zhu，Yuanmin,Liao，Ping,Xing，Wandong,et al. Revealing direct atomic structure and electrostatic maps of the Ruddlesden-Popper faults in LaNiO3 perovskite[J]. Journal of Alloys and Compounds,2023,969.

Zhu，Yuanmin.,Liao，Ping.,Xing，Wandong.,Liu，Jiayu.,Cui，Jizhe.,...&Yu，Rong.(2023).Revealing direct atomic structure and electrostatic maps of the Ruddlesden-Popper faults in LaNiO3 perovskite.Journal of Alloys and Compounds,969.

Zhu，Yuanmin,et al."Revealing direct atomic structure and electrostatic maps of the Ruddlesden-Popper faults in LaNiO3 perovskite".Journal of Alloys and Compounds 969(2023).