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Solar RRL · 2023 ·Vol. 7 ·期 13 ·2300185 · IF 7.9

Dual Optimization of Back Electrode Interface and Bulk via the Synergistic Passivation Effect of Niobium Pentoxide Enables Efficient Kesterite Solar Cells

Boyang Han,Yanping Song,Huanhuan Sun,Junjie Ma,Rensheng Wang,Xinlong Fan,Dan Chi,Xiuqing Meng,Shihua Huang,Bin Yao

As compared to the predecessor Cu(In,Ga)Se 2 device, the current efficiency of kesterite Cu 2 ZnSn(S,Se) 4 (CZTSSe) solar cells is still much lower mainly due to the known carriers recombination issue within interface and absorber bulk. In contrast to the majority of researches concerning recombination issues that focus on either single absorber bulk or interface passivation strategy, this study is pioneering in constructing synergistic passivation effects (SPE) to address the bulk and interface recombination issue simultaneously. By introducing a novel niobium pentoxide passivation layer into the back electrode interface (BEI), it is identified that SPE can be constructed due to Nb (& O) diffusion from Nb 2 O 5 layer to absorber bulk and BEI during high-temperature selenization. The chemical passivation effect is fulfilled via the intrinsic high resistance characteristic of Nb 2 O 5 layer, and also through the NbO x passivation aiming to absorber bulk benefited from Nb (& O) diffusion. Meanwhile, the occupations of Nb (& O) on the Mo (& Se) sites induce a conduction type inversion in MoSe 2 interfacial layer and create a preferable interface p + -Mo(Se,O) 2 :Nb/CZTSSe, achieving an interfacial field passivation effect. Ultimately, the promoted absorber quality and improved charge carrier transportation from SPE contribute to the boost of device performance beyond 10% efficiency.

研究领域: 材料科学 · 可再生能源 · 太阳能电池技术 · 半导体物理
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Materials Horizons · 2025 · IF 10.7

Unraveling atomic-scale origins of interfacial properties in CsPbBr3/M2O5 (M = Nb, Ta) heterojunctions: a combined first-principles and experimental approach

Menglong Gao,Yao Guo,Shiding Zhang,Yinghui Xue,Jianxin Li,Shuaishuai Hu,Haixiang Song,Kaidi Wu,Miaomiao Li,Huihui Zhao,Zhongyuan Zhou,Qing Shen

We study the interface properties of CsPbBr3/Nb2O5 and CsPbBr3/Ta2O5 heterojunctions for structural, electronic, and optical characteristics. First-principles calculations were performed to analyze interfacial binding energy, electronic local function (ELF), charge density difference, and electrostatic potential. Four interface configurations were constructed based on CsPbBr3 (100) and M2O5 (001) terminations, revealing that the PbBr/TaO interface exhibits the highest binding energy (0.0073 eV Å−2), indicating superior stability. Charge transfer calculations demonstrate electron migration from CsPbBr3 to M2O5, forming an internal electric field that promotes charge separation. ELF and charge density difference maps highlight strong covalent interactions at the interfaces, particularly in the PbBr/TaO interface. Experimental characterization via XRD, SEM, TEM and XPS confirms successful heterojunction formation with preserved crystallinity. These findings provide theoretical and experimental insights into optimizing M2O5-based electron transport layers to enhance PSC efficiency and stability.

CAS / MDL: 10031-22-8 534-17-8
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Nano Today · 2024 · IF 13.2

Remotely disturbing bioelectrical homeostasis by nanoparticle-enabled intracellular electrical stimulation for wireless cancer therapy

Cairong Xiao,Lei Fan,Changhao Li,Lei Zhou,Chunlin Deng,Rumin Fu,Dafu Chen,Zhengao Wang,Jinxia Zhai,Guoxing Tan,Peng Yu,Chengyun Ning,Chuanbin Mao

Bioelectrical homeostasis plays critical roles in biological processes, but disturbing it for cancer therapy remains challenging due to the difficulty in electrically controlling cancer cells. Here we show that cell-internalized electroactive nanoparticles interrupt it in cancer cells to effectively treat cancer wirelessly. Specifically, K 0.5 Na 0.5 NbO 3 ferroelectric nanoparticles are polarized and then generate a voltage of approximately −60 mV in response to ultrasound. Hence, once endocytosed by cancer cells in tumors, these nanoparticles establish an intracellular electric field (iEF) under the remote activation by ultrasound irradiation (for only 3 min) from outside the body. The iEF then depolarizes cell membrane potentials, decreases mitochondrial membrane potentials, and overloads intracellular calcium ions, disturbing intracellular bioelectrical balance. This disturbance promotes cancer cell apoptosis, inhibiting the growth of different types of tumors (bone tumor and skin tumor) without adverse effects. It is noteworthy that iEF can specifically disrupt the bioelectric balance of tumor cells but has no effect on normal cells. Such wireless cancer therapy can be achieved by other ferroelectric nanoparticles (e.g., BaTiO 3 ). This work represents the first cancer treatment paradigm by intracellularly interrupting bioelectrical homeostasis remotely to cause cancer cell dysfunctions without electrode implantation and wire connection in vivo. It can also provide biologists with new tools for studying the role of disturbed bioelectrical homeostasis in cell fates and disease progression.

研究领域: 癌症治疗 · 纳米技术 · 生物医学工程 · 细胞生物学 · 超声技术
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MATERIALS LETTERS · 2025 · IF 2.7

Red-emitting holmium(III) doped SrNb2O6 and structural stability under pressure

Tingting Yan,Lei Sun,Dongyang Xi,Dinghan Jin,Han Li,Linan Liu

SrNb 2 O 6 and SrNb 2 O 6 :Ho 3+ red phosphors were successfully synthesized by a novel molten salt method. Compared with the traditional synthesis method, the reaction rate is faster at lower temperature. Scanning Electron Microscopy showed the samples are rod-like crystals with an average size of 5 μm. Upon excitation at 638 nm, the samples exhibited red emission peaks in the range of 640–680 nm, which are attributed to the Ho 3+ 5 F 5 → 5 I 8 electronic transition. As the concentration of Ho 3+ increases, the luminescence intensity gradually rises, peaking at x  = 0.03. To explore the stability of the crystal structure under pressure, we conduct high-pressure Raman scattering experiments on SrNb 2 O 6 . Significant changes in the Raman spectra indicate a reversible phase transition between 3.1 and 5.4 GPa. Geometric optimization based on density functional theory suggest that the phase transitions originate from increased coordination of Sr atoms.

研究领域: 材料科学 · 光学
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

Reconstructing the Surface of K2SiF6:Mn4+ Phosphors toward Enhanced Moisture Resistance for White LED Applications

Yufan Wei,Qianxing Huang,Shijie Yu,Qiyue Shao,Jianqing Jiang

The K2SiF6:Mn4+ (KSFM) phosphor featuring efficient ultranarrow red emissions is an outstanding candidate for white light-emitting diode (WLED) applications. However, poor moisture resistance seriously affects its application performance. In this study, a two-step surface reconstruction strategy is proposed to dramatically enhance the moisture resistance of commercially available KSFM phosphors, involving treatment with H2NbF7 and subsequent hydrothermal treatment. The modified KSFM phosphor exhibits a high internal quantum efficiency (IQE) of 98.9% after the two-step surface treatment. Meanwhile, nearly 100% of the initial emission intensity is retained for the modified KSFM phosphor even after aging in high temperature (85 °C) and high relative humidity (85% RH) environments for 6 days, in sharp contrast to only 18.6% retention for the original KSFM phosphor. The relative emission intensity of the modified KSFM remains at 98.9% even after being immersed in water for 6 h. Additionally, the phosphor-converted LED fabricated with the modified KSFM phosphor demonstrated excellent long-term stability, retaining up to 97.9% of initial luminous efficacy after aging under 85 °C and 85% RH conditions for 500 h. The moisture-resistance mechanism is elucidated on the basis of spectroscopic analysis as well as structural and compositional characterization of the phosphor surface layer, which can be attributed to the formation of a robust Mn4+-rare shell with high crystalline quality following this two-step surface treatment. The findings contribute to the performance improvements of KSFM phosphors for industrial applications.

研究领域: 材料科学 · 光学工程
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CERAMICS INTERNATIONAL · 2024 · IF 5.1

Outstanding energy storage properties under moderate electric field in BiMg2/3Nb1/3O3-modified NaNbO3-based relaxor ceramics

Zhenhui Zhang,Xiangluo Miao,Xiangbin Zhang,Shibang Zhang,Changan Wang,Deyang Chen,Min Zeng,Xingsen Gao

NaNbO 3 (NN)-based ceramics have received a great deal of attention for the potential application in dielectric energy storage capacitors. However, the energy storage properties (ESP) remain low, particularly under moderate electric field. Herein, a Bi-rich doping unit of BiMg 2/3 Nb 1/3 O 3 (BMN) was introduced into a 0.85NaNbO 3 -0.15Bi 0.1 Sr 0.85 TiO 3 (NN-SBT) matrix, aiming to improve polarization along ESP. As a result, a large recoverable energy density ( W rec ) of ∼6.1 J/cm 3 and an efficiency ( η ) of ∼81 % were achieved in NN-SBT-0.08BMN ceramics under a moderate electric field of 337 kV/cm. The improved ESP can be attributed to the introduction of BMN, which delays the polarization saturation of NN-SBT ceramics, while maintaining the maximum polarization (∼43.6 μC/cm 2 ), and generating polar nanoregions (PNRs). Moreover, the optimal ceramics exhibited good thermal (25–130 °C) and frequency (1–300 Hz) stabilities, and fatigue endurance (>10 5 cycles). These results illustrate that the designed NN-SBT-0.08BMN ceramics are promising for application in dielectric energy storage capacitors with high ESP under a moderate electric field.

研究领域: 材料科学 · 物理学
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JOURNAL OF LUMINESCENCE · 2024 · IF 3.3

Orange-reddish emitting of trivalent samarium doped double perovskite Sr2LuNbO6 with high thermal stability for white-LED application

Wenzhi Su,Shoujun Ding,Chuancheng Zhang,Miaomiao Wang,Hao Ren,Haitang Hu,Yong Zou,Wenpeng Liu

A series of trivalent samarium ions (Sm 3+ ) doped double perovskite Sr 2 LuNbO 6 ( x at% Sm 3+ :Sr 2 LuNbO 6 , x  = 0.5–15) phosphors have been prepared via high-temperature solid-state method. The structural characterization of these phosphors was conducted employing X-ray diffraction (XRD), XRD Rietveld refinement , scanning electron microscope (SEM) and transmission electron microscope (TEM), respectively. Density functional theory calculations utilizing the Vienna ab initio simulation package (VASP) were employed to unveil the electronic structures, encompassing the band structure and density of states (DOS). Photoluminescence (PL) spectroscopy was employed to scrutinize the luminescent properties, while the thermal stability of the PL spectra was also evaluated. The most prominent emission peak, exhibiting an orange-reddish hue, was observed at 601 nm upon excitation at 406 nm. The quenching mechanism of Sm 3+ ions within the Sr 2 LuNbO 6 host lattice was identified as a dipole-dipole interaction, with the quenching concentration of 3 at%. Moreover, the phosphors demonstrated excellent thermal stability, with an activation energy ( E a ) value of 0.126 eV. These findings collectively underscore the promising potential of Sm 3+ :Sr 2 LuNbO 6 orange-reddish phosphors for applications in white light-emitting diodes (w-LEDs).

研究领域: 材料科学 · 光学
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Nanomaterials · 2024 ·Vol. 14 ·期 7 ·608 · IF 4.4

Optimizing the Structure and Optical Properties of Lanthanum Aluminate Perovskite through Nb5+ Doping

Wei Liu,Yang Zou,Yuang Chen,Zijian Lei,Lili Zhao,Lixin Song

This work involves the introduction of niobium oxide into lanthanum aluminate (LaAlO3) via a conventional solid-state reaction technique to yield LaAlO3:Nb (LaNbxAl1−xO3+δ) samples with Nb5+doping levels ranging from 0.00 to 0.25 mol%. This study presents a comprehensive investigation of the effects of niobium doping on the phase evolution, defect control, and reflectance of LaNbxAl1−xO3+δpowder. Powder X-ray diffraction (XRD) analysis confirms the perovskite structure in all powders, and XRD and transmission electron microscopy (TEM) reveal successful doping of Nb5+into LaNbxAl1−xO3+δ. The surface morphology was analyzed by scanning electron microscopy (SEM), and the results show that increasing the doping concentration of niobium leads to fewer microstructural defects. Oxygen vacancy defects in different compositions are analyzed at 300 K, and as the doping level increases, a clear trend of defect reduction is observed. Notably, LaNbxAl1−xO3+δwith 0.15 mol% Nb5+exhibits excellent reflectance properties, with a maximum infrared reflectance of 99.7%. This study shows that LaNbxAl1−xO3+δpowder materials have wide application potential in the field of high reflectivity coating materials due to their extremely low microstructural defects and oxygen vacancy defects.

研究领域: 材料科学 · 光学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Optimizing charge dynamics in Ti2Nb10O29 anode via strategic orbital hybridization and delocalized electronic engineering

Yonghua Sun,Yuyang Gao,Zhuo Chen,Junhe Yang,Tao Yuan,Yuepeng Pang,Shiyou Zheng

Ti 2 Nb 10 O 29 (TNO) anodes demonstrate significant potential for fast-charging lithium-ion batteries (LIBs) owing to their inherent safety, high capacity, and robust durability. However, their practical implementation is constrained by sluggish Li + diffusion kinetics and limited electronic conductivity. In this study, we systematically explore the impact of strategically incorporating trivalent heteroatoms (Ti 2 Nb 9.9 M 0.1 O 29 , denoted as M-TNO, where M = Al, Fe, Y, La, and Gd) on the orbital hybridization and delocalized electronic structure of TNO. Specifically, elements with unsaturated outer electrons (e.g., Fe and Gd) introduce dopant energy levels within the bandgap, thereby enhancing the electrochemical response. Meanwhile, elements with larger electronic configurations (e.g., La and Gd) promote hybridization between their 5d orbitals and the Ti 3d and O 2p orbitals, improving reaction kinetics. Among the modified samples, Gd-TNO exhibits the most pronounced enhancement in Li + diffusion kinetics, attributed to Gd-induced interlayer expansion and shortened diffusion pathways. The optimized Gd 0.1 -TNO delivers a high capacity of 295.0 mAh g −1 at 0.5 C, an exceptional rate capacity of 190.9 mAh g −1 at 10 C, and remarkable cycling stability with a minimal capacity loss of 0.038 % per cycle over 1000 cycles at 10 C. This work provides critical insights into the role of trivalent heteroatoms in enhancing the performance of TNO anodes, offering a novel strategy for the design of high-performance LIB materials.

研究领域: 材料科学 · 电化学 · 能源存储
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Journal of Materials Chemistry C · 2024 ·Vol. 12 ·期 46 ·18819-18828 · IF 5.7

Ba7Nb4−xCexMoO20: structural and electrical property studies of a novel NTC thermal ceramic

Jinyang Li,Wenye Deng,Yan Xue,Ni Ai,Kai Ding,Xianghui Chen,Weiwei Meng,Pengjun Zhao,Aimin Chang,Yongxin Xie

The hexagonal perovskite oxide Ba7Nb4MoO20 is widely studied in chemical devices due to its oxide-ionic conductivity at high temperatures. Ce4+ doping into Ba7Nb4MoO20 was undertaken to optimize small polariton conduction and oxide ionic conductivity simultaneously. Ba7Nb4−xCexMoO20 materials were synthesized via solid phase sintering. XRD patterns indicate a single phase, SEM scans reveal increased densification with higher Ce doping concentrations, and the resistance temperature range expands from 400–900 °C to 300–1100 °C. Hall tests confirm that Ba7Nb4−xCexMoO20 carriers are electrons, indicating n-type conductivity. Nyquist plots illustrate that grain boundary resistance governs complex impedance, which shows gradual oxide ionic conductivity enhancement with rising temperature. The aging drift rate decreases to about 1%, suggesting good stability of Ba7Nb4−xCexMoO20 ceramics. These findings propose a feasible doping strategy for enhancing hexagonal perovskite oxide ceramics.

CAS / MDL: 1306-38-3 1313-96-8
研究领域: 材料科学 · 电化学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2024 · IF 5.8

Atomic arrangement and mechanical properties of high-entropy nonoxide ceramics simulated via location preference-based disordered random structure

Wuyang Song,Youjun Lu,Chuyun Wang,Jiahao Xu,Xiang Liu,Bo Ma,Yanmin Wang,Bo Wu

The cell structures and mechanical properties (i.e., hardness, Young's modulus , shear modulus , and Poisson's ratio) of (Hf 0.2 Zr 0.2 Ti 0.2 Nb 0.2 Ta 0.2 )C (HEC) and (Hf 0.2 Zr 0.2 Ti 0.2 Nb 0.2 Ta 0.2 )N (HEN) high-entropy ceramics were simulated by special quasi-random structure (SQS) and general random structure (GRS) with atomic occupation preference based on the first-principles density functional theory. The results show that compared to SQS, the cell structure constructed by GRS is more realistic, which is verified via scanning electron microscopy, high resolution transmission electron microscopy and energy dispersive spectroscopy. The mechanical properties simulated by GRS were also determined by microhardness and dynamic elastic modulus testers. The hardness, Young's modulus,shear modulus and Poisson's ratio predicted by GRS are 23.07 GPa, 449.71 GPa, 183.28 and 0.227 for HEC and 22.96 GPa, 413.71 GPa, 162.47 and 0.241 for HEN, which are in a reasonable agreement with the measured results (i.e., 22.05 ± 0.32 GPa, 433 ± 12 GPa, 172 ± 18 GPa, 0.21 for HEC and 22.12 ± 0.13 GPa, 372 ± 23 GPa, 158 ± 11 GPa, 0.23 for HEN). This work can provide a promising reference for preparing high-entropy non-oxide ceramics via the prediction.

研究领域: 材料科学 · 计算材料学
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Materials Today Physics · 2024 · IF 10

Achieving ultra-high resistivity and outstanding piezoelectric properties by co-substitution in CaBi2Nb2O9 ceramics

Biao Zhang,Liming Quan,Zhihong Luo,Qiantong Li,Jianming Deng,Shuhang Yu,Wangxin Li,Mingmei Lin,Feng Yan,Dawei Wang,Dongyan Yu,Changbai Long,Laijun Liu

CaBi 2 Nb 2 O 9 (CBNO) ceramics exhibit significant potential in the development of piezoelectric sensors suitable for extreme environments such as aerospace, metallurgy, and nuclear power plants. While previous studies have enhanced the piezoelectric response of CBNO ceramics, their insulating properties at high temperatures still require improvement. In this work, co-substitution of (Li 0.5 Bi 0.5 ) at A site and Mn at B site was designed to improve the electrical properties of CBNO ceramics. Defect dipoles induced by the bound between Mn and oxygen vacancies restrict the movement of oxygen vacancies at high temperatures. Meanwhile, co-substitution of Ca by (Li 0.5 Bi 0.5 ) reduces both the sintering temperature and volatilization of Bi 2 O 3 during the sintering process. This modification results in an ultra-high T C of 928 °C and an exceptional resistivity of 2.85 MΩ cm at 600 °C for Ca 0.96 (Li 0.5 Bi 0.5 ) 0.04 Bi 2 Nb 1.98 Mn 0.02 O 9 ceramics. Furthermore, the ceramic exhibits excellent piezoelectric properties ( d 33 of 15.2 pC/N and k p of 6.9 %), ferroelectric properties ( P r of 9.42 μC/cm 2 ), and thermal stability (degeneration of d 33 only 6 % after annealing at 900 °C for 2 h). This work offers a practical strategy for simultaneously achieving both a high piezoelectric response and outstanding insulating properties in the CBNO system.

研究领域: 材料科学 · 电子工程
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