Journal ArticleDOI
Increased activity in the oxygen evolution reaction by Fe4+-induced hole states in perovskite La1−xSrxFeO3
Zechao Shen,Yongbin Zhuang,Weiwei Li,Xiaochun Huang,Freddy E. Oropeza,Emiel J. M. Hensen,Jan P. Hofmann,Meiyan Cui,Anton Tadich,Anton Tadich,Dongchen Qi,Jun Cheng,Jun Li,Kelvin H. L. Zhang +13 more
TLDR
In this paper, a systematic study of the relation between the electronic structure and OER performance of perovskite La1−xSrxFeO3 (0 ≤ x ≤ 1) was performed.Abstract:
Perovskite transition metal oxides are promising non-precious metal electrocatalysts for promoting the oxygen evolution reaction (OER) in many electrochemical energy conversion devices. This work reports a systematic study of the relation between the electronic structure and OER performance of perovskite La1−xSrxFeO3 (0 ≤ x ≤ 1). The partial substitution of La for Sr in LaFeO3 results in the oxidation of Fe3+ to Fe4+ and substantially enhances OER activity. A comprehensive X-ray spectroscopic study reveals a strong correlation of the enhanced OER activity with these Fe4+ states. The presence of Fe4+ leads to a stronger Fe–O bond due to stronger Fe 3d–O 2p orbital hybridization and shifts the energy position of the valence band (VB) to EF. Such an electronic modulation optimizes the surface adsorption energetics of *OH intermediates, contributing to faster OER kinetics. Furthermore, a new unoccupied state is created at ∼0.9 eV below the conduction band. This hole state reduces the energy barrier for electron transfer from 1.34 eV to 0.44 eV, thereby facilitating charge transfer at the interface. The Fe4+-induced electronic states responsible for higher OER activity have implications for the understanding of structure–activity relationships in other Fe-based electrocatalysts such as highly active Fe-doped NiOOH.read more
Citations
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Journal ArticleDOI
Facile synthesis of hierarchical A-site cation deficiency perovskite LaxFeO3-y/RGO for high efficiency microwave absorption
Zirui Jia,Zirui Jia,Zhenguo Gao,Kaichang Kou,Ailing Feng,Chuanhui Zhang,Binghui Xu,Guanglei Wu +7 more
TL;DR: In this paper, a hierarchical A-site cation deficiency perovskite at carbon and RGO hybrid composites was designed, and was represented by x = 1.0, 0.8, 0 6, 0 4 and 0.2, respectively.
Journal ArticleDOI
P-block metal-based (Sn, In, Bi, Pb) electrocatalysts for selective reduction of CO2 to formate
TL;DR: In this article, a review on the recent developments and understanding of p-block post-transition metal (e.g., Sn, In, Pb, and Bi) based electrocatalysts for electrochemical CO2 reduction is presented.
Journal ArticleDOI
Defects in complex oxide thin films for electronics and energy applications: challenges and opportunities
TL;DR: In this paper, the authors provide an overview on recent progress in tuning the functional properties of complex transition-metal oxides via defect engineering, including types of defects and their effects on local atomic structure, electron configurations and electronic structure.
Journal ArticleDOI
Chlorine-anion doping induced multi-factor optimization in perovskties for boosting intrinsic oxygen evolution
Yinlong Zhu,Qian Lin,Zhenbin Wang,Dongchen Qi,Yichun Yin,Yu Liu,Xiwang Zhang,Zongping Shao,Huanting Wang +8 more
TL;DR: In this paper, a halogen-chlorine (Cl)-anion doping strategy was proposed to boost the oxygen evolution reaction (OER) activity of perovskite oxides.
Journal ArticleDOI
FeOOH-containing hydrated layered iron vanadate electrocatalyst for superior oxygen evolution reaction and efficient water splitting
TL;DR: In this paper, a new FeOOH-containing Fe5V15O39(OH)9·9H2O (FVO) has been shown to exhibit superior oxygen evolution reaction (OER) and efficient overall water splitting activities.
References
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Journal ArticleDOI
A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles.
TL;DR: The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an eg symmetry of surface transition metal cations in an oxide.
Journal ArticleDOI
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Isabela C. Man,Hai-Yan Su,Federico Calle-Vallejo,Heine Anton Hansen,José I. Martínez,Nilay İnoğlu,John R. Kitchin,Thomas F. Jaramillo,Jens K. Nørskov,Jan Rossmeisl +9 more
TL;DR: In this article, a large database of HO* and HOO* adsorption energies on oxide surfaces was used to analyze the reaction free energy diagrams of all the oxides in a general way.
Journal ArticleDOI
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
Wesley T. Hong,Marcel Risch,Kelsey A. Stoerzinger,Alexis Grimaud,Jin Suntivich,Yang Shao-Horn +5 more
TL;DR: In this article, the state-of-the-art understanding of non-precious transition metal oxides that catalyze the oxygen reduction and evolution reactions is discussed, with an outlook on the opportunities in future research within this rapidly developing field.
Journal ArticleDOI
Density functional theory in surface chemistry and catalysis.
Jens K. Nørskov,Jens K. Nørskov,Jens K. Nørskov,Frank Abild-Pedersen,Frank Abild-Pedersen,Felix Studt,Felix Studt,Thomas Bligaard +7 more
TL;DR: The current status of the heterogeneous catalysts field is discussed with an emphasis on the role of coupling theory and experiment and future challenges.
Journal ArticleDOI
Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution
Alexis Grimaud,Oscar Diaz-Morales,Binghong Han,Wesley T. Hong,Yueh-Lin Lee,Livia Giordano,Livia Giordano,Kelsey A. Stoerzinger,Marc T. M. Koper,Yang Shao-Horn +9 more
TL;DR: Using in situ 18O isotope labelling mass spectrometry, direct experimental evidence is provided that the O2 generated during the OER on some highly active oxides can come from lattice oxygen.