JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2024
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IF 9.4
Jiaqi Li,Yuxi Zhang,Hanhao Liang,Jiaming Li,Xiao Yu,Jianglin Wang,Yini Long,Zhanhong Yang
Manganese oxide is a promising cathode material for rechargeable batteries due to its high theoretical specific capacity. However, its practical application is hindered by its poor conductivity and rapid capacity decay caused by Jahn-Teller distortion during charging and discharging. This work introduces Na 2 EDTA during the synthesis of Mn O 2 , and the amino group is introduced by adsorption to deposit to form N-doped Mn O 2 . Alkaline N-doped Mn O 2 battery upshifts the d-band center of Mn, improves the conductivity of Mn O 2 and the formation energy of O vacancies during the charge-discharge process, and suppresses Jahn Teller distortion. As a result, N-doped Mn O 2 achieves a high capacity of up to 197mAh g −1 and excellent capacity retention of 94.2% over 250 cycles with slower voltage decay. This strategy enables the material with high cycling performance for single-electron discharge secondary alkaline manganese batteries.
研究领域:
材料科学
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电化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHEMISTRY OF MATERIALS
·
2022
·
IF 10.508
Guoqi Ji,Zewen Xiao
Halide double perovskites A2B(I)B(III)X6, where the monovalent B(I) and trivalent B(III) cations adopt a rock-salt-ordered arrangement primarily due to their large charge difference and ionic radius difference, have attracted substantial interest in the field of optoelectronics. On the other hand, the combinations of two divalent B-site cations usually result in AB(II)′0.5B(II)″0.5X3 perovskite solid solutions due to the zero charge difference, rather than the rock-salt-ordered A2B(II)′B(II)″X6 double perovskites. In this work, we report the theoretical design and experimental verification of A2B(II)′B(II)″X6 halide double perovskites with unusually rock-salt-ordered divalent B-site cations. Through theoretical calculations, we demonstrate that introducing divalent transition metal cations with partially filled d orbitals into the double perovskite structure can produce significant Jahn–Teller distortions and thus stabilize the rock-salt-ordered double perovskite structure. Among the considered compounds, Cs2HgCuCl6, Cs2HgPdCl6, and Cs2HgPtCl6 were predicted to be thermodynamically stable. Experimentally, Cs2HgCuCl6 and Cs2HgPdCl6 were successfully synthesized as representative examples of the A2B(II)′B(II)″X6 halide double perovskites. The synthesized pure-phase Cs2HgCuCl6 exhibits a small bandgap of 1.08 eV that is suitable for visible light absorption. Our work provides an approach for designing novel double perovskites with two kinds of divalent cations, which expands the large family of halide double perovskites for optoelectronic applications.
研究领域:
材料科学
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光学
✓ 已验证
DOI
高影响因子
Advanced Optical Materials
·
2023
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IF 9
Yan Liu,Xing Dai,Xuelian Zeng,Xianrong Yuan,Yanan Wang,Yuhang Song,Haoyu Chen,Chao Zhang,Yong Wang,Li Wan,Yatao Zou,Weihua Ning,Baoquan Sun
Decreasing the power consumption of light-emitting diodes (LEDs) and increasing the energy generation of solar cells are crucial tasks toward the mitigation of greenhouse gas emissions and Paris Agreement goals. Lead (Pb)-free halide double perovskites, identified as environmentally friendly alternatives to Pb-based perovskites, are not deemed useful thus far due to the absence of high photoluminescence quantum yield (PLQY) examples and large bandgaps. Herein, penta-cationic antimony (Sb 5+ )-doping strategy is demonstrated for the benchmark material of Cs 2 NaInCl 6 , achieving blue emission with near-unity PLQY and the lowest bandgap of 1.24 eV. The excellent PLQY observed in the material is attributed to Sb 5+ doping-induced Jahn–Teller distortion in Cs 2 NaInCl 6 and a newly emerged band structure, which has remained undisclosed in all previous reports. This groundbreaking discovery represents the first instance in the field of perovskite materials where the incorporation of a single dopant has resulted in a zero-to-one enhancement in their emission profile. This breakthrough is expected to have profound implications for advancing research in the utilization of similar dopants, such as manganese cations (Mn 6+ and Mn 7+ ), not only in halide perovskite structures but also in oxide-based perovskites and other semiconductor systems.
研究领域:
材料科学
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光学
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能源研究
✓ 已验证
产品关联
DOI
高影响因子
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
·
2025
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IF 10.3
Jinlv Wei,Jianlong Zhang,Huan Wen,Zhixiang Zhai,Fangyuan Guan,Zelong Sun,Jia Wu,Shibin Yin
5-Hydroxymethylfurfural electrooxidation reaction (HMFOR) provides a promising route for producing high-value-added compounds. It is generally believed that NiOOH is the active species in HMFOR process, but its inherently poor electron transfer ability leads to limited catalytic activity. In this work, a W doping strategy is adopted to regulate the electron transfer between NiOOH and reaction molecules. Electrochemical results show that W-doped Ni 5 P 4 -R exhibits excellent electrochemical performance for the oxidation of HMF to FDCA with the conversion of HMF and yield of FDCA both close to ∼100%. Density functional theory and in-situ characterization reveal that the introduction of W causes the distortion of NiOOH lattice, resulting in the Jahn-Teller distortion and the elimination of orbital degeneracy, thereby broadening the e g ∗ band of NiOOH. This feature is beneficial for the electron transfer between W-doped NiOOH and HMF (1.31 e − ), thereby promoting the C–H bond activation of the aldehyde group in HMF and effectively reducing the energy barrier of rate-determining step (RDS).
研究领域:
化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Materials Chemistry A
·
2024
·Vol. 12
·期 38
·26076-26082
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IF 10.7
Haifeng Yu,Erdong Zhang,Jinxun Yu,Songmin Yu,Yaoguo Fang,Ling Chen,Hao Jiang,Chunzhong Li
Olivine-type LiMnxFe1−xPO4 (LMFP, 0 < x < 1) is poised to supplant LiFePO4 cathode materials with a ∼20% energy-density increase for Li-ion batteries (LIBs). However, its intrinsic low conductivities and MnO6 octahedral unit-cell Jahn–Teller distortion limit its power capability and cycling life. Herein, we report a Mg/Ni dual-doped and carbon-coated LMFP micro-sized secondary sphere with greatly enhanced reaction kinetics and superior structure stability. Ni2+ reduces the average valence state of Mn ions to alleviate Jahn–Teller distortion by participating in charge compensation during charging while improving electronic conductivity together with carbon coating. Mg2+ with a smaller ion radius (65 pm) significantly widens the Li-ion transfer channel by extending Li–O bonds. The as-obtained LMFP cathodes increase reversible specific capacity by about 2.4 times at 5C compared with a pristine sample, reaching 115 mA h g−1. In a pouch-type full cell, 92% of its initial capacity is still maintained after 2000 cycles at 1C, demonstrating its attractive potential for practical application in high-power and long-life LIBs.
研究领域:
材料科学
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电化学
✓ 已验证
DOI
高影响因子
ADVANCED MATERIALS
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2025
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IF 26.8
Maolin Yang,Tingting Yang,Mingjie Dong,Zhongyuan Huang,Yuguang Pu,Lei Jin,Rui Wang,Yuxi Luo,Tao Zeng,Yonglin Tang,Jun Chen,Rafal E. Dunin-Borkowski,Ziwei Chen,Yu Qiao,Yinguo Xiao
Mn-rich layered oxides (MRLOs) are promising low-cost cathode materials for sustainable sodium-ion batteries (SIBs). However, the low Mn 4+ /Mn 3+ redox potential limits their energy densities, and the Jahn-Teller distortion that occurs surrounding Mn 3+ at low voltages destabilizes the structure. Additionally, complex ordered structures inherently present in MRLOs hinder Na + migration. In this study, new types of cation ordering structures are discovered in common MRLOs. By regulating oxygen vacancy formation, the transition from short-range to long-range cation ordering is disrupted, effectively mitigating cooperative Jahn-Teller distortion and achieving a 95.3% capacity retention over 1 000 cycles at 8 C. The maximum entropy method (MEM) analysis is performed based on neutron diffraction data, which visualizes significantly optimized Na + diffusion pathways in long-range disordered cathode with enhanced Na + diffusion kinetics. Furthermore, the formation of oxygen vacancy elevates the Mn 4+ /Mn 3+ redox potential, resulting in a competitive energy density of 626 Wh kg −1 within 1.5–4.5 V in a half-cell configuration. This work offers a multiscale approach to precise elucidation of the cathode crystal structure and provides a feasible pathway to optimize sodium-ion cathodes by disrupting long-range cation ordering, ultimately facilitating substantial improvements in electrochemical performance.
研究领域:
材料科学
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电化学
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能源存储
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Materials Chemistry A
·
2024
·
IF 10.7
Xiangyu Ding,Qingbo Zhou,Ziye Wang,Lei Liu,Yusong Wang,Tinglu Song,Feng Wu,Hongcai Gao
Among the potential cathode materials for sodium-ion batteries (SIBs), sodium manganese hexacyanoferrate (NaMHCF) has attracted great interest because of its open 3D framework, cost-effectiveness, and high voltage properties. However, NaMHCF synthesized by the conventional coprecipitation method has the disadvantages of high crystal water and high defects. Herein, through an effective regulation strategy, the strong chelation between organic complex manganese salt and Na4Fe(CN)6 can greatly slow down the nucleation rate of the coprecipitation reaction and prepare low defect, low water content, high crystallization cubic phase NaMHCF. In situ XRD analysis shows that the cubic phase NaMHCF has no phase transformation during repeated charge and discharge, which greatly reduced the deterioration of the cathode caused by Jahn–Teller (J–T) distortion of Mn3+. Moreover, ex situ XPS and time-of-flight secondary ion mass spectrometry (TOF-SIMS) verified that the cubic phase NaMHCF crystal structure has low water content and lattice defects, and shows superior cycle stability with a capacity retention rate of about 90% at 350 mA g−1 over 300 cycles and impressive rate performance, and can still work normally even in low temperature environments (−20 °C). This work has great potential in the research of high-performance cathode materials for sodium-ion batteries.
研究领域:
材料科学
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电化学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Energy Chemistry
·
2025
·
IF 14.9
Shuyun Yao,Zhiyu Yang,Shiyu Wang,Yuanming Liu,Yingjie Ji,Kang Ji,Feike Zhang,Weijie Fu,Ningning Wu,Jiangzhou Xie,Yi-Ming Yan
Jahn-Teller distortion (JTD) remains a fundamental bottleneck for transition metal oxides (TMOs) in electrochemical energy storage, where the e g -orbital single-electron occupancy induces irreversible octahedral collapse and rapid capacity fading. Here, we pioneer an itinerant-electron-mediated dynamic suppression strategy that fundamentally reshapes the JTD evolution pathway through π - d orbital hybridization engineering. By constructing reduced graphene oxide/TMO heterointerfaces (rGO/MO x , M = Fe/Ni/Mn), localized 3 d electrons are transformed into delocalized itinerant states, which (1) eliminate e g -band degeneracy via orbital repopulation and (2) establish an electron density buffer layer to neutralize lattice strain. This electronic regulation enables ultrafast Na + diffusion kinetics (508.3 F g −1 at 1 A g −1 → 304.6 F g −1 at 20 A g −1 ) and near-zero lattice deformation (91.07% capacitance retention after 20,000 cycles). Synchrotron-based X-ray absorption spectroscopy and density functional theory calculations reveal that itinerant electron dynamics actively decouple the Mn 3+ d 4 electronic configuration from JTD triggering, leading to a dramatic suppression of octahedral distortion compared to the conventional MnO 2 . The proposed electron delocalization-to-lattice stabilization paradigm opens a universal route to design distortion-resistant electrodes for high-power energy storage systems.
研究领域:
材料科学
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电化学能存储
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
CERAMICS INTERNATIONAL
·
2021
·
IF 4.527
Sheng'an Yang,Qingming Chen,Jin Hu,Yunrui Yang,Yan Gao,Ruidong Xu,Hui Zhang,Ji Ma
In the presence of magnetic field , reducing the loss in temperature coefficient of resistance ( TCR ) and increasing metal−insulator transition point ( T MI ) to room temperature are the most important concerns for the application of perovskite manganites in high−precision thermistors . Based on emerging evidence, relevant factor to address these problems lies in the interaction between Jahn−Teller (JT) distortion and magnetic field, which results in spin−orbital coupling (SOC) effect and significantly influences TCR and T MI . In this work, we studied the magnetic field induced SOC effect in polycrystalline La 1− x Ca x MnO 3 ( x = 0.225–0.45) materials synthesized via sol−gel technique. Compounds undergo the JT distortions with increasing Ca dopant content, and the most pronounced distortion of 0.0144 at x = 0.40 is correlated with a basal−plane distortion mode. All samples exhibit T MI values between 262 K and 288 K, indicating the enhancement of doping−induced double−exchange interaction. In the magnetic field of 1 T, SOC effect sufficiently suppresses the deterioration of TCR caused by deficient magnetization in La 0.6 Ca 0.4 MnO 3 to a value of 2.9%·K −1 at room temperature (287 K).
研究领域:
材料科学
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物理学
✓ 已验证
DOI
高影响因子
Energy Storage Materials
·
2024
·
IF 18.9
Wenyu Yin,Zhixiong Huang,Tengfei Zhang,Tianqi Yang,Houpeng Ji,Yujia Zhou,Shaojun Shi,Yongqi Zhang
Sodium-ion batteries (SIBs) have been proved as one of the most alternative to Lithium-ion batteries (LIBs) by the virtue of the abundant resources of Na. Among the cathodes, layered oxides stand out owing to their high energy density . The Jahn–Teller distortion, structural phase transition and oxygen release are main drawbacks of Mn/Ni based layered oxides. Hence, Li-Ni-Cu co-substituted Na 0.67 Li 0.1 (Mn 0.7 Ni 0.2 Cu 0.1 ) 0.9 O 2 (NLMNC) sample was prepared. The NLMNC sample exhibits the honeycomb-ordered superstructure at about 22° which is ascribed to cation ordering. By virtue of the Li-Ni-Cu co-substitute, the Jahn–Teller distortion of Mn is suppressed. Attributed to Li + migrating from the metal oxide layer to the interlayer and the Li + can play the part of pillar in the interlayer, NLMNC cathode displays the capacity retention rate of 82.5 % at 200 mA g −1 after 100 cycles. The anionic redox reaction of NLMNC is related to the addition of Li ions and O 2p non-bonding which is different from the anionic redox reaction of electrons removing from O 2p in the e g * (Ni–O) states of Na 2/3 Ni 1/3 Mn 2/3 O 2 . During charge process, peroxo O − emerges with the oxidation of lattice oxygen. During discharge process, the intensity of peroxo O − gradually decreases. DFT calculations were also carried out to reveal the reaction mechanism of NLMNC. The DFT results showed that the anionic redox reaction occurs near Mn ions, while the Ni ions are stable which is corresponding with our results. It is proven that such Li-Ni-Cu co-substituted NLMNC presents a promising cathode material for SIBs.
研究领域:
材料科学
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电化学
✓ 已验证
产品关联
DOI
高影响因子
MODERN PHYSICS LETTERS B
·
2024
·
IF 1.8
Rui Chen,Kin Hong Ip,Xin Huang,Junhong Li,Zhiliang Dong,Men Shao,Min Xu,Weiyi Yang,Tingting Yan,Zhidong Li,Hui Zhang,Ji Ma,Sheng’an Yang,Qingming Chen
The electrical and magnetic properties of strongly correlated manganese oxides originate from and depend on the coupling of spin, orbital, lattice and other degrees of freedom, and can also be controlled by external stimuli (such as a magnetic field). Here, the films have been prepared using spin-coating method to determine the role of Jahn–Teller (JT) distortion and double exchange (DE) interaction in electronic transport and magnetoresistance (MR) by magnetic field in La 0 . 7 − x Sm x Ca 0 . 3 MnO 3 /SrTiO 3 (001). The Sm-induced lattice distortion suppresses the metal-insulator transition temperature and increases the films’ resistivity, which is due to the weakening of the DE interaction between Mn 3 + –O 2 − –Mn 4 + ions and the enhancement of the single electron bandwidth. Moreover, the MR can be increased to 96.5% and the AMR can be increased to 66.6% under 1 T magnetic field. These findings indicate the importance of JT distortion in multi-field control of hole-doped perovskite manganites.
研究领域:
材料科学
·
凝聚态物理
✓ 已验证
产品关联
DOI
高影响因子
Journal of Materials Chemistry A
·
2021
·Vol. 9
·期 32
·17261-17269
·
IF 12.732
Jinji Liang,Chenhan Lin,Xiangcong Meng,Min Liang,Jie Lai,Xuhong Zheng,Quanzhuang Huang,Liying Liu,Zhicong Shi
Mn-based layered oxides, as potential cathodes for potassium-ion batteries (PIBs), face major challenges such as consecutive phase transition, serious capacity loss, and sluggish K+ transport kinetics. Herein, Co–Mg co-substituted K0.45Co1/12Mg1/12Mn5/6O2 is designed as a promising cathode material for PIBs to conquer the above issues in this work. Co3+–Mg2+ ions occupying the Mn3+ sites are confirmed to effectively alleviate the Jahn–Teller distortion induced by Mn3+ ions. P3-K0.45Co1/12Mg1/12Mn5/6O2 exhibits highly reversible single-phase structural evolution during the K+ deintercalation/intercalation. In contrast, the pristine K0.45MnO2 electrode experiences incompletely reversible structural variation from a P′3 to P3 phase. The increase of structural stability in the Co–Mg co-substituted sample is the main reason leading to improved cycling stability. Moreover, K0.45Co1/12Mg1/12Mn5/6O2 delivers better rate capability resulting from faster K+ diffusion compared to K0.45MnO2. Therefore, Co–Mg co-substitution is an effective strategy to enhance the structural stability and electrochemical properties of Mn-based layered oxides in PIBs.
研究领域:
材料科学
·
电化学
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能源存储
·
无机化学
·
固态化学
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电池技术
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）