Materials Horizons
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2025
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IF 10.7
Chuangchuang Gong,Jiawei Ding,Jin Cui,Yuanyuan Fu,Yijing Zhang,Hongwei Cong,Junwei Sha,Chunnian He,Chunsheng Shi,Naiqin Zhao,Fang He
Anion doping engineering is an effective method to regulate the electronic structure of transition metal dichalcogenides (TMDs), especially at the electron orbital level. Based on electromagnetic wave (EMW) loss theory, this study innovatively constructs dipole polarization sites via S doping in FeSe. The electronic structure of these sites is systematically analyzed to reveal charge redistribution and bond hybridization induced by dopant incorporation. Notably, controlled sulfur doping induces Fe-to-S charge transfer, enhances interatomic electron transfer, and forms numerous dipolar polarization centers, enabling precise tuning of EM parameters. Density of states and wave function calculations reveal strong Fe 3d–S 3p orbital hybridization, intensifying local charge imbalances and dipole polarization. S doping also modulates the bandgap, suppresses free electron concentration, and improves impedance matching. Compared with Pure FeSe, the effective absorption bandwidth (EAB) of FeSe1−xSx reaches 5.52 GHz at a thickness of only 1.3 mm, an increase of 132.5%. The minimum reflection loss (RL) is −59.6 dB, an improvement of 196.5%. This work provides a theoretical foundation for constructing polarization centers.
研究领域:
材料科学
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凝聚态物理
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电磁学
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纳米技术
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电子结构理论
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2026
·
IF 5.4
Xinxin Wang,Jinping Xu,Mingming Zhang,Qi Yuan,Liwei Jiao,Lihua Zhi
The pursuit of efficient, durable, and cost-effective oxygen evolution reaction (OER) electrocatalysts is of great significance for advancing sustainable energy technologies. Herein, a three-dimensional hierarchical N-doped carbon nanoflower encapsulated with nickel iron selenide (Ni 3 Se 4 /FeSe HNCNF) was fabricated via selenization of the iron salts decorated nickel coordination polymers. The obtained Ni 3 Se 4 /FeSe HNCNF presents abundant heterogenous interfaces, which effectively optimize the electronic configuration, substantially expediting charge-transfer kinetics. Additionally, the hierarchical nanoflower-like N-doped carbon framework maximizes the exposure of catalytic sites and restrains nanoparticle accumulation and erosion. Benefiting from these structural and compositional advantages, Ni 3 Se 4 /FeSe HNCNF delivers remarkable OER performance in alkaline medium (1.0 M KOH), achieving a low overpotential of 280 mV at 10 mA cm -2 , along with excellent durability exceeding 27 h at 10 mA cm -2 and 100 mA cm -2 . This study highlights the potential of heterostructure engineering and three-dimensional hierarchical design in bimetallic selenides, offering new insights into the development of next-generation high-performance OER electrocatalysts.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2017
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IF 3.133
Fan Sun,Zhongnan Guo,Huanhuan Zhang,Wenxia Yuan
Previous study suggested that Se-site doping with Te or S in tetragonal FeSe adjusts the superconductivity only by expanding or compressing the lattice parameters . However, three chalcogens X ( X = S, Se, Te) show different electronegativity, which could directly change the interaction between Fe & X , and their electronic structures. In order to understand this underlying mechanism, the samples with different anion compositions but the same lattice parameters are required. In this work, two superconductors : FeSe 0.95 Te 0.03 S 0.02 and FeSe 0.9 Te 0.057 S 0.043 have been synthesized by solid state reaction. The thus-obtained samples have the same lattice parameters in tetragonal single phase as that of undoped FeSe. It is found that despite the unchanged lattice, S/Te co-doping on Se-site still increased the density of the electronic states (DOS) near the Fermi level, thereby enhanced the superconductivity. Our results suggest that the influence of Se-site doping with the same valence chalcogen in superconducting FeSe is not simply in the view of the lattice size, effects on electronic structures originated from different electronegativity during Se-site doping should also be considered.
研究领域:
凝聚态物理学
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材料科学
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JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
·
2024
·
IF 11.2
Da Li,Qifeng Kuang,Xiaoling Men,Bo Zhang,Jianqi Huang,Xiaolei Shang,Bing Yang,Teng Yang,Zhiwei Li,Zhidong Zhang
Composition/structure-dependent superconductivity for FeSe-based superconductors attracted great attention not only due to their high superconducting transition temperatures ( T C ), but also for understanding the origin of iron-based superconductivity. Here, we report a new Fe-poor organic-inorganic hybrid material Fe 14 Se 16 (tepa) 0.8 with a paramagnetic-diamagnetic transition at ∼42 K grown by a high-temperature organic-solution-phase method with soluble iron/selenium sources in a tepa solution, alternative to previous intercalation strategies. The Fe 14 Se 16 (tepa) 0.8 phase is in a tetragonal layered hybrid structure with a nanoplate shape. Composition analyses reveal a Fe-poor characteristic of the hybrid in contrast to previous FeSe-intercalated superconductor, and selected area electron diffraction pattern is featured by Fe 3 Se 4 superstructures with a √2 × √2 of Fe vacancy order. Ab initio density functional calculations show that minus Fe 3 Se 4 ions are stable in the hybrid and ∼0.25e − /Fe 0.75 Se is obviously larger than the reported values of approximately 0.2e − /FeSe in other FeSe-intercalated superconductors. Typical hysteresis loops and temperature dependence of dc/ac susceptibilities of the Fe 14 Se 16 (tepa) 0.8 measured below ∼42 K suggest a presence of the Meissner effect in this material. Effects of synthesis conditions on structures and magnetic properties of the hybrids show a magnetic evolution from a long-range ferrimagnetic (FIM) order of Fe 14 Se 16 (tepa) to a coexistence of FIM and superconducting (SC) orders of Fe 14 Se 16 (tepa) 0.9 and an SC order of Fe 14 Se 16 (tepa) 0.8 . X-ray absorption spectrum (XAS) confirms the presence of ferric/ferrous irons. Mössbauer studies reveal that the high- T C superconductivity originates from a suppression of the FIM order through tuning the spin states of irons from high-spin Fe 3+ ( S = 5/2) and Fe 2+ ( S = 2) in the Fe 14 Se 16 (tepa) to low-spin Fe 3+ ( S = 1/2) and Fe 2+ ( S = 0) in the Fe 14 Se 16 (tepa) 0.8 . Although no zero resistance is detected even at a temperature of 2 K, the resistivity at 2 K decreases by more than 1600 times compared to that in a normal state calculated by a variable range hopping (VRH) model, suggesting that the high- T C superconductivity of Fe 14 Se 16 (tepa) 0.8 is possible.
研究领域:
凝聚态物理
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材料科学
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NEW JOURNAL OF CHEMISTRY
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2024
·Vol. 48
·期 41
·17990-17997
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IF 2.7
Biaobiao Lu,Yaoxia Yang,Yu Zhang,RuiRui Zhang,Fuxing Zhou,Qingtao Wang,Wei Zeng,Dongfei Sun
The exploration of clean, environmentally friendly, efficient and economical metal electrocatalysts is becoming more and more in-depth, but catalyst activity and stability are still the main goals. Herein, a thin regular pentagonal rough nanosheet array (La-CoNiOOH@FeSe@NiSe/NF) grown on a three-dimensional porous conductive surface was designed and synthesized. The prepared electrode material exhibited good catalytic activity in 1 M KOH solution, required only 270 mV of overpotential to provide 10 mA cm−2 current density for the oxygen evolution reaction (OER), and showed excellent stability for at least 90 hours during the OER process. The characterization test results proved that the incorporation of La changed the surface electronic structure, optimized the interface, modulated the active site on the surface of the material, and exposed a large number of active sites, thus improving the activity and stability of the catalyst material. At the same time, such a rough surface also gives the material excellent wettability and anti-bubble adhesion, which is also a key factor in maintaining the catalytic activity and OER stability of the material. This method provides a new idea for developing an efficient and economical electrolytic hydroelectricity catalyst.
研究领域:
材料科学
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电化学
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CERAMICS INTERNATIONAL
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2024
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IF 5.1
Chao Xiao,Ming Yin,Xindan Li,Zhong Kuang,Bin Wang,Hongjiang He,Shengquan Yu,Zhuoying Jia,Xiaoqiang Li
In this study, Fe 2+ :ZnSe x S 1-x (0.6 ≤ x ≤ 1) solid solution laser ceramics with cubic crystal structures were prepared for the first time via hot pressing sintering, using FeSe, ZnSe, and ZnS powders. The resulting ceramics exhibit a unique combination of the optical and physical properties of Fe 2+ :ZnSe and Fe 2+ :ZnS. An increase in the ZnS content led to a blueshift in the maximum absorption spectra of Fe 2+ ions and an enhancement in Vickers hardness. These findings suggest that Fe 2+ :ZnSe x S 1-x solid solution ceramics could serve as promising gain media for mid-infrared solid-state lasers, offering a novel approach for the development of directly pumped mid-infrared laser systems.
研究领域:
材料科学
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光学
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激光技术
·
陶瓷
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DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2026
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IF 9.6
Guoxu Ni,Runye Hu,Qikai Wang,Wenwen Shi,Qiuhong Cui,Jun Yan
HF-free synthesis of FeSe₂@S-Ti₂C via Lewis acidic molten-salt etching. • Simultaneous Ti₂C termination, etching, and FeSe₂ anchoring in one step. • Strong interfacial coupling endows Ti₂C/FeSe₂ with metallic conductivity. • Ti₂C/FeSe₂ delivers high capacity, long life, and high rate for SIBs. • Synergistic Na-storage mechanism of FeSe₂@S-Ti₂C revealed by DFT and in situ EIS/DRT analyses. The development of high-performance anode materials is critical for advancing sodium-ion batteries (SIBs) toward practical applications. Herein, we report a novel FeSe 2 @S-Ti 2 C heterostructure synthesized via a safe and straightforward Lewis acidic molten salt etching strategy followed by in-situ selenization. This approach enables simultaneous etching of Ti 2 AlC MAX phase, surface termination with sulfur-containing groups, and uniform anchoring of FeSe 2 nanoparticles within the Ti 2 C MXene matrix, eliminating the need for hazardous HF or post-synthesis metal removal. The resulting heterostructure integrates multiple advantageous features: The highly conductive Ti₂C MXene framework accelerates the transport of Na + , while its structural robustness effectively accommodates the volume expansion caused by Na + deintercalation. S-containing surface terminations provide additional active sites that enhance Na + adsorption. Ultimately, the FeSe₂@S-Ti₂C anode demonstrates exceptional sodium-storage performance, characterized by a high reversible capacity of 397.6 mAh g −1 after 350 cycles at 1 A g −1 , superior rate capability (227.8 mAh g −1 at 5 A g −1 ), as well as robust full-cell performance with an initial Coulombic efficiency of 91.2% and a reversible capacity of 493.6 mAh g −1 following 500 cycles at 1 A g −1 . Density functional theory calculations further elucidate the underlying mechanism, revealing metallic conductivity, reduced Na + diffusion barrier (0.30 eV), and enhanced Na adsorption energy (−2.43 eV) in the heterostructure. This work presents a versatile and scalable strategy for constructing advanced MXene-based heterostructures, offering promising avenues for high-performance SIB anodes. Description : Lewis acidic molten salt etching enables one-pot synthesis of FeSe₂@S–Ti₂C heterostructures; the conductive MXene framework with S-terminations and interfacial coupling deliver fast Na + diffusion and robust sodium storage. Download: Download high-res image (203KB) Download: Download full-size image
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