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367 results on '"Shu, Chaozhu"'

17. Controllable Regulation of the Oxygen Redox Process in Lithium–Oxygen Batteries by High-Configuration-Entropy Spinel with an Asymmetric Octahedral Structure

Author

Tian, Guilei, primary, Xu, Haoyang, additional, Wang, Xinxiang, additional, Wen, Xiaojuan, additional, Liu, Pengfei, additional, Liu, Sheng, additional, Zeng, Ting, additional, Fan, Fengxia, additional, Wang, Shuhan, additional, Wang, Chuan, additional, Zeng, Chenrui, additional, and Shu, Chaozhu, additional

Published
2024
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32. Energy level regulation of anions via hydrogen bond effects to construct a stable solid electrolyte interface for a high-stability lithium metal anode.

Author

Wang, Chuan, Liu, Sheng, Wang, Xinxiang, Tian, Guilei, Fan, Fengxia, Liu, Pengfei, Wang, Shuhan, Zeng, Chenrui, and Shu, Chaozhu

Subjects
ENERGY levels (Quantum mechanics), SOLID electrolytes, SUPERIONIC conductors, HYDROGEN bonding, ELECTROLYTES, ANIONS, ANODES
Abstract

An intermolecular hydrogen bond between 2,5-dihydroxyterephthalic acid and the anions in the Li+ solvation shell is constructed to promote the formation of a LiF-rich SEI on a metallic Li electrode. Li metal batteries with improved cyclability (140 cycles under an N/P ratio of 4.9) and high capacity retention (90%) are eventually obtained. [ABSTRACT FROM AUTHOR]

Published
2024
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33. Cation Vacancy Modulated Interfacial Electronic Interactions for Enhanced Electrocatalysis in Lithium–Oxygen Batteries.

Author

Zheng, Ruixin, Du, Dayue, Yan, Yu, Liu, Sheng, Wang, Xinxiang, and Shu, Chaozhu

Subjects
LITHIUM-air batteries, ELECTRODE reactions, OXYGEN electrodes, LITHIUM cells, CHARGE exchange, OXIDATION-reduction reaction, ELECTROCATALYSIS
Abstract

Li–O2 batteries deliver ultrahigh theoretical specific energy while suffering from low energy efficiency and poor cyclability due to sluggish kinetics of oxygen electrode reactions. Herein, a strategy of engineering interfacial electron structure of MXene‐based composites is presented to boost oxygen electrode reactions for advancing Li–O2 batteries with the cation vacancy‐rich CoSe@MXene (VCo‐CoSe2@MXene) as the case study. The formation of interfacial Co─C bond between VCo‐CoSe2 and Ti3C2 MXene and its enhanced covalency after introducing Co vacancy leads to promoted electron transfer from Ti3C2 MXene to CoSe2 and optimized electronic structure of interfacial Co sites, especially the second Co sites neighboring Co vacancy, which serve as the active centers for oxygen redox reactions. On this basis, VCo‐CoSe2@MXene‐based Li─O2 batteries exhibit low overpotential (0.35 V) and excellent cycling stability (250 cycles at 500 mA g−1). This work proposes an effective strategy to develop MXene‐based electrocatalysts for Li–O2 batteries by tailoring interfacial electron structure. [ABSTRACT FROM AUTHOR]

Published
2024
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46. Structure Regulation of Electric Double Layer via Hydrogen Bonding Effect to Realize High‐Stability Lithium‐Metal Batteries.

Author

Liu, Sheng, Shu, Chaozhu, Yan, Yu, Du, Dayue, Ren, Longfei, Zeng, Ting, Wen, Xiaojuan, Xu, Haoyang, Wang, Xinxiang, Tian, Guilei, and Zeng, Ying

Subjects
ELECTRIC double layer, FRONTIER orbitals, HYDROGEN bonding, DENSITY functional theory, MOLECULAR dynamics
Abstract

The interfacial chemistry of solid electrolyte interphases (SEI) on lithium (Li) electrode is directly determined by the structural chemistry of the electric double layer (EDL) at the interface. Herein, a strategy for regulating the structural chemistry of EDL via the introduction of intermolecular hydrogen bonds has been proposed (p‐hydroxybenzoic acid (pHA) is selected as proof‐of‐concept). According to the molecular dynamics (MD) simulation and density functional theory (DFT) calculation results, the existence of hydrogen bonds realizes the anion structural rearrangement in the EDL, reduces the lowest unoccupied molecular orbital (LUMO) energy level of anions in the EDL, and the number of free solvent molecules, which promotes the formation of inorganic species‐enriched SEI and eventually achieves the dendrite‐free Li deposition. Based on this strategy, Li||Cu cells can stably run over 185 cycles with an accumulated active Li loss of only 2.27 mAh cm−2, and the long‐term cycle stability of Li||Li cells is increased to 1200 h. In addition, the full cell pairing with the commercial LiFePO4 (LFP) cathodes exhibits stable cycling performance at 1C, with a capacity retention close to 90% after 200 cycles. [ABSTRACT FROM AUTHOR]

Published
2024
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47. Single‐Atom Immobilization Boosting Oxygen Redox Kinetics of High‐Entropy Perovskite Oxide Toward High‐Performance Lithium‐Oxygen Batteries.

Author

Du, Dayue, He, Hanna, Zheng, Ruixin, Zeng, Li, Wang, Xinxiang, Shu, Chaozhu, and Zhang, Chuhong

Subjects
LITHIUM-air batteries, RUTHENIUM catalysts, ELECTRIC batteries, APROTIC solvents, CHARGE transfer kinetics, ORBITAL hybridization, OXYGEN electrodes, PEROVSKITE
Abstract

Understanding and modulating the unique electronic interaction between single‐metal atoms and high entropy compounds are of great significance to enable their high‐efficiency oxygen electrocatalysis for aprotic lithium‐oxygen (Li‐O2) batteries. Herein, a novel bi‐functional electrocatalyst is for the first time created by immobilizing single‐atom ruthenium (Ru) on lanthanum‐based high entropy perovskite oxide La(Mn0.2Co0.2Fe0.2Ni0.2Cr0.2)O3 (Ru@HEPO), which demonstrates high activity and stability in Li‐O2 batteries. The heteronuclear coordination between single‐atom Ru and HEPO facilitates fast electron transfer from Ru to HEPO by establishing Ru‐O‐M (M stands for Mn, Co, Fe, Ni) bridges, which well redistributes electrons within the Ru@HEPO hence significantly improving its interfacial charge transfer kinetics and electrocatalytic activity. Additionally, the strong electron coupling between Ru and Mn atoms enhances the hybridization between Mn 3d and O 2p orbitals, which promotes the inherent affinity of Ru@HEPO toward the LiO2 intermediate, thereby reducing the reaction energy barrier of the oxygen electrode. As a result, the Ru@HEPO‐based Li‐O2 batteries deliver remarkable electrochemical performances, such as high energy efficiency (87.3% at 100 mA g−1), excellent rate capability (low overpotential of 0.52 V at 100 mA g−1) and durable cyclability (345 cycles at 300 mA g−1). This work opens up a promising avenue for the development of high entropy‐based electrocatalysts for Li‐O2 batteries by precisely tailoring the electronic distributions at an atomic scale. [ABSTRACT FROM AUTHOR]

Published
2024
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