Double Perovskite LaFexNi1−xO3 Nanorods Enable Efficient Oxygen Evolution Electrocatalysis

Wang, Huaping; Wang, Juan; Pi, Yecan; Shao, Qi; Tan, Yueming; Huang, Bolong

doi:10.1002/ange.201812545

Cited by 51 publications

(14 citation statements)

References 41 publications

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“…The incorporation of heteroatoms into the crystal lattices of electrocatalysts represents an effective and facile method of modulating the electronic structure of the d-bands of transition metals, which potentially changes the position of the center of the d-band, thus promoting the reaction kinetics of the electrocatalysis process. [52][53][54][55] By doping Ru into the KLTO ((K 0.469 La 0.531 )TiO 3 ) and Ti atoms into the RuO 2 , Wang et al prepared the TRO/RKLTO and evaluated its electrocatalytic performance toward hydrogen evolution. [56] The calculation based on DFT reveals the downshift of the d-band center of Ru, which synergistically works with the Ru-doped KLTO to accelerate the Volmer step in the alkaline electrolyte (Figure 5a).…”

Section: Doping With Heteroatoms Into the Metricsmentioning

confidence: 99%

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Jiao

Huang

2021

Adv Funct Materials

226

136

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Closing the carbon-, hydrogen-, and nitrogen cycle with renewable electricity holds promises for the mitigation of the facing environment and energy crisis, along with the continuing prosperity of the human society. Descriptors bridge the gap between the physicochemical factors of electrocatalysts and their boosted activity and serve as guiding principles during the rational design of electrocatalysts. The optimal adsorption strength of key intermediates is potentially accessed under the tendentious guidelines proposed by indicators, such as d-band center, ΔG H , E O* , coordination number (CN), bond length, etc. Here, in this review, a comprehensive summary of the recent advances achieved regarding the descriptors during the rational design of electrocatalysts that aims for the recycling of C/H/N-containing chemicals is offered. The review is initiated by providing the necessity of the development of efficient electrocatalysts and then the physics behind the d-band center is introduced. Then a summary of the recent progress relating to the development of electrocatalysts under the guidance of descriptors is reviewed. Following that, an extended discussion regarding the experimental or theoretical characterization of the d-band center and the descriptors beyond it is provided. Finally, perspectives and challenges in this area are offered.

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Section: Doping With Heteroatoms Into the Metricsmentioning

confidence: 99%

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Jiao

Huang

2021

Adv Funct Materials

226

136

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“…Unfortunately,t he OER reaction involves an complex fourelectron transfer process,and most of OER catalytic materials would undergo ap hase change or amorphization process due to strong polarization under oxidizing reaction environment. [16][17][18][19] Therefore,i ti sv ery challenging to identify actual active sites and determine the actual rate-determining step during the reaction process. [20,21] It was reported that Co 3 O 4 can retain its spinel crystal phase during the OER process.…”

Section: Introductionmentioning

confidence: 99%

Active Electron Density Modulation of Co₃O₄‐Based Catalysts Enhances their Oxygen Evolution Performance

Song

et al. 2020

Angew Chem Int Ed

179

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Despite the fact that many strategies have been developed to improve the efficiency of the oxygen evolution reaction (OER), the precise modulation of the surface electronic properties of catalysts to improve their catalytic activity is still challenging. Herein, we demonstrate that the surface active electron density of Co3O4 can be effectively regulated by an argon‐ion irradiation method. X‐ray photoelectron and synchrotron x‐ray absorption spectroscopy, UV photoelectron spectrometry, and DFT calculations show that the surface active electron density band center of Co3O4 has been upshifted, leading to a significantly enhanced absorption capability of the oxo group. The optimized Co3O4‐based catalysts exhibit an excellent overpotential of 260 mV at 10 mA cm−2 and Tafel slope of 54 mV dec−1, superior to the capability of the benchmark RuO2, representing one of the best Co‐based OER catalysts. This approach could guide the future rational design and discovery of ideal electrocatalysts.

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“…Surface valence band spectra were collected to explain the electronic effect on the binding strength of adsorbates. Since the d‐band center is close to the E f , there is strong binding between adsorbates and transition metal surface, electron transfer is promoted, and thus catalytic activity is boosted . We can see that the phase transformation of PdCu from FCC to BCC would lead to an upshift of d‐band center and result in enhanced binding of BCC PdCu to N 2 and intermediates (Figure c).…”

Section: Figurementioning

confidence: 92%

Crystal‐Phase‐Engineered PdCu Electrocatalyst for Enhanced Ammonia Synthesis

et al. 2020

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Crystal phase engineering is a powerful strategy for regulating the performance of electrocatalysts towards many electrocatalytic reactions, while its impact on the nitrogen electroreduction has been largely unexplored. Herein, we demonstrate that structurally ordered body‐centered cubic (BCC) PdCu nanoparticles can be adopted as active, selective, and stable electrocatalysts for ammonia synthesis. Specifically, the BCC PdCu exhibits excellent activity with a high NH3 yield of 35.7 μg h−1 mg−1cat, Faradaic efficiency of 11.5 %, and high selectivity (no N2H4 is detected) at −0.1 V versus reversible hydrogen electrode, outperforming its counterpart, face‐centered cubic (FCC) PdCu, and most reported nitrogen reduction reaction (NRR) electrocatalysts. It also exhibits durable stability for consecutive electrolysis for five cycles. Density functional theory calculation reveals that strong orbital interactions between Pd and neighboring Cu sites in BCC PdCu obtained by structure engineering induces an evident correlation effect for boosting up the Pd 4d electronic activities for efficient NRR catalysis. Our findings open up a new avenue for designing active and stable electrocatalysts towards NRR.

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Double Perovskite LaFe_xNi_1−xO₃ Nanorods Enable Efficient Oxygen Evolution Electrocatalysis

Cited by 51 publications

References 41 publications

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Active Electron Density Modulation of Co₃O₄‐Based Catalysts Enhances their Oxygen Evolution Performance

Crystal‐Phase‐Engineered PdCu Electrocatalyst for Enhanced Ammonia Synthesis

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Double Perovskite LaFexNi1−xO3 Nanorods Enable Efficient Oxygen Evolution Electrocatalysis

Cited by 51 publications

References 41 publications

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

Active Electron Density Modulation of Co3O4‐Based Catalysts Enhances their Oxygen Evolution Performance

Crystal‐Phase‐Engineered PdCu Electrocatalyst for Enhanced Ammonia Synthesis

Contact Info

Product

Resources

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Double Perovskite LaFe_xNi_1−xO₃ Nanorods Enable Efficient Oxygen Evolution Electrocatalysis

Active Electron Density Modulation of Co₃O₄‐Based Catalysts Enhances their Oxygen Evolution Performance