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INORGANIC CHEMISTRY COMMUNICATIONS · 2025 · IF 5.4

CsGaGe₃Se₈: Enhanced optical anisotropy and bandgap via cation-substitution-driven dimensionality reduction

Yue Wang,Rongfang Jiang,Zihao Lou,Yongfang Shi

A strategic dimensionality reduction approach is demonstrated through controlled Cs + incorporation into the three-dimensional (3D) AgGaGe 3 Se 8 framework, yielding the new layered compound CsGaGe 3 Se 8 while preserving stoichiometry. Single-crystal X-ray diffraction reveals its crystallization in P 2 1 /c space group, exhibiting a pronounced 2D layered structure distinct from the parent 3D network. Comprehensive characterization shows that CsGaGe 3 Se 8 possesses remarkable thermal stability (stable up to 600 °C) and a direct bandgap of 2.41 eV, a 15 % increase compared to the parent phase (2.10 eV). The compound exhibits broad-spectrum transparency (0.43–25 μm) and a moderate birefringence (Δ n cal  = 0.05), representing an about 2.5-fold enhancement over AgGaGe 3 Se 8 (Δ n cal  ≈ 0.020). These findings establish that controlled cationic substitution-driven dimensionality reduction can concurrently modulate bandgap expansion and optical anisotropy. This study not only enriches the family of selenides with a high-performance optical material but also provides a generalizable structural-design paradigm for developing infrared birefringence optical crystals.

CAS / MDL: 534-17-8
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JOURNAL OF ALLOYS AND COMPOUNDS · 2025 · IF 6.3

Se vacancy-enabled ZIF-derived multimetal selenides: Crafting high-performance battery-type supercapacitors

Hao Guo,Yu Liu,Henglong Ren,Yanrui Hao,Liping Peng,Wu Yang

Metal-organic framework (MOF) materials, as electrodes for supercapacitors, have promising applications, but their conductivity and capacitance performance are critical limitations to their practical use. By constructing rational structures and incorporating various active materials, the conductivity and capacitance performance of MOF-derived materials can be significantly enhanced. This study presented the application of trimetallic selenide electrode materials V a -ZnSe/NiCoSe 2 in supercapacitors prepared through sequential Ni 2 + etching, selenization and NaBH 4 reduction of ZIF-8@ZIF-67 core-shell structure. The results exhibited that an appropriate number of Se vacancy defects effectively enhanced the specific capacitance and conductivity of the material, thereby improving the performance of supercapacitors. When NaBH 4 concentration was 1 M, the obtained V 1 -ZnSe/NiCoSe 2 electrode material presented excellent supercapacitor performance with a maximum specific capacitance (capacity) of 1563 F·g −1 (705.5 C . g −1 ) at a current density of 1 A·g −1 as well as high rate capability and long-term cycling stability. Additionally, the assembled V 1 -ZnSe/NiCoSe 2 //AC asymmetric supercapacitor delivered a high energy density of 41.9 Wh·kg −1 at a power density of 750 W·kg −1 , highlighting its great potential in the field of energy storage.

研究领域: 材料科学 · 电化学 · 储能技术
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Solar RRL · 2019 ·Vol. 4 ·期 1 ·1900410 · IF 0

Mechanism of Current Shunting in Flexible Cu2Zn1−xCdxSn(S,Se)4 Solar Cells

Qiong Yan,Shuying Cheng,Xue Yu,Hongjie Jia,Junjie Fu,Caixia Zhang,Qiao Zheng,Sixin Wu

Partial cation substitution is an effective way to inhibit defects and carrier recombination, which can improve the efficiency of Cu 2 ZnSn(S,Se) 4 (CZTSSe) solar cells. Herein, flexible Cu 2 Zn 1− x Cd x Sn(S,Se) 4 ( x = 0–15%) solar cells are fabricated on Mo foils with partial Cd substitution for Zn via a green solution-process. The best device performance can be achieved when Cd/(Zn + Cd) = 8%, with an efficiency up to 6.49% and a significantly improved device repeatability. The E U decreases from 24 to 15 meV, indicating that antisite defects and band tailings are effectively suppressed. C – V data reveal that W d and V bi are enhanced after doping Cd, resulting in a stronger built-in electric field which facilitates Fermi-level splitting and hence increases band bending of the absorber toward the junction interface. Furthermore, the mechanism of current shunting is studied using an equivalent circuit model with three parallel current pathways to fit J – V curves. The key parameters for the solar cell diode such as A , J 0 , and R sh are significantly improved by partially substituting Zn with Cd, demonstrating that current shunting loss is suppressed and the junction quality is improved, resulting in a significant improvement in device repeatability.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2021 ·Vol. 47 ·期 1 ·216-227 · IF 5.816

Se-doped cobalt oxide nanoparticle as highly-efficient electrocatalyst for oxygen evolution reaction

Guoru Li,Fengxiang Yin,Zhiping Lei,Xinran Zhao,Xiaobo He,Zhichun Li,Xiaoting Yu

Electrolysis of water has been one of the most promising approaches for renewable energy resources while the efficient oxygen evolution reaction (OER) remains challenging. Herein, a series of different ratio of Se doped Co 3 O 4 nanoparticles XSe-Co 3 O 4 are prepared by hydrothermal method and applied as OER electrocatalysts . Se 2− is doped into the Co 3 O 4 crystal lattice by substituting of O 2− and a large number of oxygen vacancies are generated, which provides more available activity sites for OER. Se doping increases the surface ratio of Co 2+ /Co 3+ and accelerates the electron transport that favors OER activity promotion. The optimized doping ratio of 6%Se–Co 3 O 4 presents low overpotential of 281 mV at 10 mA cm −2 , as well as a low Tafel slope of 70 mV dec −1 in 1 M KOH solution, which has great advantages compared to the recently reported Co 3 O 4 -based OER electrocatalysts . This work provides new ideas for the development of efficient Co 3 O 4 -based OER electrocatalysts.

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RSC Advances · 2018 ·Vol. 8 ·期 49 ·27686-27694 · IF 2.936

Efficient (Cu1−xAgx)2ZnSn(S,Se)4 solar cells on flexible Mo foils

Xue Yu,Shuying Cheng,Qiong Yan,Jinling Yu,Wen Qiu,Zhengji Zhou,Qiao Zheng,Sixin Wu

Cation substitution plays a crucial role in improving the efficiency of Cu2ZnSn(S,Se)4 (CZTSSe) solar cells. In this work, we report a significant efficiency enhancement of flexible CZTSSe solar cells on Mo foils by partial substitution of Cu+ with Ag+. It is found that the band gap (Eg) of (Cu1−xAgx)2ZnSn(S,Se)4 (CAZTSSe) thin films can be adjusted by doping with Ag with x from 0 to 6%, and the minimum Eg is achieved with x = 5%. We also found that Ag doping can obviously increase the average grain size of the CAZTSSe absorber from 0.4 to 1.1 μm. Additionally, the depletion width (Wd) at the heterojunction interface of CAZTSSe/CdS is found to be improved. As a result, the open-circuit voltage deficit (Voc,def) is gradually decreased, and the band tailing is suppressed. Benefiting from the enhanced open-circuit voltage (Voc), the power conversion efficiency (PCE) is successfully enhanced from 4.34% (x = 0) to 6.24% (x = 4%), and the Voc,def decreases from 915 to 848 mV.

研究领域: 光伏技术 · 材料科学 · 薄膜太阳能电池 · 半导体材料
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JOURNAL OF MATERIALS SCIENCE · 2026 · IF 3.9

The regulation of superconducting properties of Fe(Se, Te) crystal by oxygen doping

Hu T. T.,Xie Y. X.,Zhao K.,Yang X. S.

Trace oxygen-doped FeSe 0.4 Te 0.6 single crystals were synthesized using the self-flux method to investigate the effects of oxygen incorporation on their crystal structure, superconducting transition, and flux pinning properties. Experimental results indicate that trace O-doping effectively modulates the superconducting transition temperature ( T c ) and enhances the critical current density ( J c ), with a more pronounced improvement in current-carrying capacity observed under high magnetic fields. Based on the Dew–Hughes model analysis, the sample with 0.5% O-doping exhibits the most robust pinning effect. This study demonstrates that trace oxygen doping can effectively optimize the superconducting performance of FeSe 0.4 Te 0.6 and reveals the existence of an optimal doping regime, which provides valuable insights into the mechanism and practical application of iron-based superconductors.

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DALTON TRANSACTIONS · 2025 · IF 3.3

Unraveling the role of Se defects on Fe3Se4 for electrocatalytic oxygen evolution reaction

Wenjuan Chen,Jinting Wu,Yunfei Zhang,Wan Liu,Zhen-Feng Huang,Ji-Jun Zou,Yong-Chao Zhang,Xiao-Dong Zhu

The high cost of catalysts remains a major bottleneck for water electrolysis hydrogen production, making the development of cost-effective and efficient non-precious-metal catalysts an urgent priority. In this study, we synthesized selenium vacancy-rich iron selenide (Fe₃Se₄) through electro-precipitation method. Combined theoretical calculations and experimental characterization confirm that these selenium vacancies serve as highly efficient active sites, effectively modulating the local electronic structure of Fe centers and optimizing their adsorption behavior toward reaction intermediates. In the oxygen evolution reaction (OER), this defective structure significantly enhances water molecule adsorption and dissociation while minimizing the activation energy barrier of the rate-determining step. Benefiting from these features, the Se-deficient Fe₃Se₄ catalyst exhibits high OER performance, requiring only 274.8 mV overpotential to achieve 50 mA·cm⁻² while demonstrating remarkable stability for 100 h at 100 mA·cm⁻², highlighting its rapid OER kinetics.

CAS / MDL: 7782-63-0 7446-08-4
研究领域: 材料科学 · 电催化 · 能量转换 · 计算化学
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JOURNAL OF ELECTRONIC MATERIALS · 2020 ·Vol. 49 ·期 10 ·6208-6213 · IF 1.774

Atmospheric Modified Thiol-Based Solution Deposition for Cu2ZnSn(S,Se)4 Absorber Layer

Chen Ruilan,Cui Guonan,Yang Yanchun,Li Yuemin,Alata H.,Tian Xiao,Tegus O.

Abandoning the traditional deposition of as-prepared Cu 2 ZnSnS 4 (CZTS) thin films in a glove box, a modified thiol-based solution system suitable for deposition in air is described to further reduce device production costs. In this modified approach, metal salts and thiourea are used as the starting materials and are dissolved in a mixed solution of thioglycolic acid and 2-methoxyethanol, forming a homogeneous precursor solution. The as-deposited CZTS thin films are obtained by spin-coating the precursor solution in air, followed by the selenization process to form large-grained Cu 2 ZnSn(S,Se) 4 thin films. Combining the microstructural results with compositional analyses, the optimal selenization conditions for the Cu 2 ZnSn(S,Se) 4 absorber layer were found to be 540°C and 10 min.

研究领域: 材料科学 · 薄膜制备 · 光电材料 · 能源材料 · 半导体工艺
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Joule · 2019 · IF 0

High-Energy-Density Solid-Electrolyte-Based Liquid Li-S and Li-Se Batteries

Yang Jin,Kai Liu,Jialiang Lang,Xin Jiang,Zhikun Zheng,Qinghe Su,Zeya Huang,Yuanzheng Long,Chang-an Wang,Hui Wu,Yi Cui

Lithium-sulfur (Li-S) and Lithium-selenium (Li-Se) batteries are considered as promising candidates for next-generation battery technologies, as they have high energy density and low cost. However, due to the use of a solid Li-metal anode and a liquid organic electrolyte, the current Li-S and Li-Se batteries face several issues in terms of Coulombic efficiency and cycling stability, which seriously impeded their development. Here, we report solid-electrolyte-based liquid Li-S and Li-Se (SELL-S and SELL-Se in short) batteries. The batteries use a Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO) ceramic tube as electrolyte and work at temperatures higher than the melting point of Li; thus, polysulfide or polyselenide shuttle effects and Li dendrite growth are effectively prevented, and high energy density, together with high stability, fast charge/discharge capability, high Coulombic efficiency, and high energy efficiency, can be achieved. The SELL-S and SELL-Se batteries provide broader platforms for constructing high-energy, high-power, long-lifetime, and low-cost energy storage.

研究领域: 电化学储能 · 新能源材料 · 无机非金属材料
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Nano Energy · 2020 · IF 16.602

Boosting interfacial charge transfer for alkaline hydrogen evolution via rational interior Se modification

Yi Liu,Qingguo Feng,Wei Liu,Qian Li,Yuchao Wang,Biao Liu,Lirong Zheng,Wei Wang,Lin Huang,Limiao Chen,Xiang Xiong,Yongpeng Lei

For electrocatalytic hydrogen evolution reaction (HER) in alkaline media , it is urgently needed to accelerate the generation of H*. Here, using Se doped phosphides inside nitrogen doped carbon (skin-core structure) as catalysts, the HER performance in alkaline electrolyte was improved. The overpotential of 261 mV at 400 mA cm −2 was among the top level reported so far. Based on the combination of experimental results and density functional theory (DFT) calculations, the interior CoSe phase generated by Se modification provides faster charge transfer from the inner to carbon layer , facilitating the rate-determining step (Volmer). Also, the needle-like nanowire array facilitates the H 2 desorption at a large current density. Furthermore, a solar-to-hydrogen efficiency up to 10.2% was demonstrated. This work may provide an effective strategy to boost the reaction kinetics via accelerating interfacial charge transfer ability of electrocatalysts .

CAS / MDL: 7782-49-2
研究领域: 电化学 · 材料科学 · 可再生能源
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Catalysts · 2021 ·Vol. 11 ·期 2 ·169 · IF 4.146

A “Superaerophobic” Se-Doped CoS2 Porous Nanowires Array for Cost-Saving Hydrogen Evolution

Yan Tan,Yijun Yin,Xianhong Yin,Chenghao Lan,Yu Wang,Feilong Hu,Qin Huang,Yan Mi

The pursuit of low-cost and high-efficiency catalyst is imperative for the development and utilization of hydrogen energy. Heteroatomic doping which is conducive to the redistribution of electric density is one of the promising strategies to improve catalytic activity. Herein, the Se-doped CoS2porous nanowires array with a superaerophobic surface was constructed on carbon fiber. Due to the electronic modulation and the unique superaerophobic structure, it showed improved hydrogen evolution activity and stability in urea-containing electrolyte. At a current density of 10 mA cm−2, the overpotentials are 188 mV for hydrogen evolution reaction (HER) and 1.46 V for urea oxidation reaction (UOR). When it was set as a cell, the voltage is low as 1.44 V. Meanwhile, the current densities of HER and UOR, as well as of cell remained basically unchanged after a continuous operation for 48 h. This work opens up a new idea for designing of cost-saving hydrogen evolution electrocatalysts.Keywords:superaerophobic;cost-saving hydrogen evolution;heteroatom doping;electronic adjustment

研究领域: 材料科学 · 能源化学
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JOURNAL OF CRYSTAL GROWTH · 2014 · IF 1.693

Thermodynamic analysis and growth of ZnSe single crystals in Zn-Se-I2 system

Huanyong Li,Zhi Gu,Haiyang Zhang,Wenwei Li

A modified chemical vapor transport system is developed to grow ZnSe single crystals from zinc–selenium source materials, where iodine serves as the chemical transport agent to avoid the kinetics limitations of the congruent sublimation conditions. ZnSe crystals with different crystalline quality are obtained under various growth conditions. The thermodynamic properties of Zn-Se-I 2 system are studied by combining the mass conservation with the vapor-solid reactions related to crystal growth. The mass transport is analyzed by using the diffusion-convection mathematical model. Depending on initial iodine concentration and the designed temperature difference between source zone and growth zone, the optimum growth conditions can be predicted based on the calculated maximum growth rate. Comparing growth results with theoretical analysis indicates that Zn-Se-I 2 system affords a feasible route to grow ZnSe crystals. High quality ZnSe crystal can be achieved under the theoretically optimized growth conditions.

CAS / MDL: 7553-56-2
研究领域: 材料科学 · 物理化学
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