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|a 10.1002/adma.202305074
|2 doi
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|a pubmed24n1198.xml
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|a (DE-627)NLM359533795
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|a (NLM)37452655
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|a DE-627
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|c DE-627
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|a eng
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| 100 |
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|a Guan, Daqin
|e verfasserin
|4 aut
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| 245 |
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|a Identifying a Universal Activity Descriptor and a Unifying Mechanism Concept on Perovskite Oxides for Green Hydrogen Production
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|c 2023
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 02.11.2023
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2023 The Authors. Advanced Materials published by Wiley-VCH GmbH.
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|a Producing indispensable hydrogen and oxygen for social development via water electrolysis shows more prospects than other technologies. Although electrocatalysts have been explored for centuries, a universal activity descriptor for both hydrogen-evolution reaction (HER) and oxygen-evolution reaction (OER) is not yet developed. Moreover, a unifying concept is not yet established to simultaneously understand HER/OER mechanisms. Here, the relationships between HER/OER activities in three common electrolytes and over ten representative material properties on 12 3d-metal-based model oxides are rationally bridged through statistical methodologies. The orbital charge-transfer energy (Δ) can serve as an ideal universal descriptor, where a neither too large nor too small Δ (≈1 eV) with optimal electron-cloud density around Fermi level affords the best activities, fulfilling Sabatier's principle. Systematic experiments and computations unravel that pristine oxide with Δ ≈ 1 eV possesses metal-like high-valence configurations and active lattice-oxygen sites to help adsorb key protons in HER and induce lattice-oxygen participation in the OER, respectively. After reactions, partially generated metals in the HER and high-valence hydroxides in the OER dominate proton adsorption and couple with pristine lattice-oxygen activation, respectively. These can be successfully rationalized by the unifying orbital charge-transfer theory. This work provides the foundation of rational material design and mechanism understanding for many potential applications
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|a Journal Article
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|a green hydrogen production
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|a orbital charge-transfer theory
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|a property-activity relationships
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| 650 |
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|a unifying mechanism concept
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| 650 |
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4 |
|a universal activity descriptors
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| 700 |
1 |
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|a Xu, Hengyue
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhang, Qingwen
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Huang, Yu-Cheng
|e verfasserin
|4 aut
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1 |
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|a Shi, Chenliang
|e verfasserin
|4 aut
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1 |
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|a Chang, Yu-Chung
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Xu, Xiaomin
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tang, Jiayi
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Gu, Yuxing
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Pao, Chih-Wen
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Haw, Shu-Chih
|e verfasserin
|4 aut
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1 |
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|a Chen, Jin-Ming
|e verfasserin
|4 aut
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|a Hu, Zhiwei
|e verfasserin
|4 aut
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|a Ni, Meng
|e verfasserin
|4 aut
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|a Shao, Zongping
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 35(2023), 44 vom: 15. Nov., Seite e2305074
|w (DE-627)NLM098206397
|x 1521-4095
|7 nnns
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| 773 |
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|g volume:35
|g year:2023
|g number:44
|g day:15
|g month:11
|g pages:e2305074
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|u http://dx.doi.org/10.1002/adma.202305074
|3 Volltext
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