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MATERIALS RESEARCH BULLETIN · 2024 · IF 5.3

One-step hydrothermal synthesis of Zr-doped brookite TiO2 nanorods for highly efficient perovskite solar cells

Fengyan Xie,Chunlei Huang,Guofa Dong,Minghui Wu,Kechen Wu,Shaowu Du,Yafeng Li,Mingdeng Wei

Perovskite solar cells (PSCs) fabricated of TiO 2 electron transporting material (ETM) have aroused tremendous attention, but their power conversion efficiency (PCE) needs further improvements. In this study, for the first time, zirconium (Zr)-doped brookite TiO 2 nanorods (ZTO) are synthesized by a facile route and subsequently employed as an ETM in PSCs which finally achieves a considerable PCE of 19.42 % by optimizing all operating conditions. Further characterizations have been undertaken to explore in detail the effects of Zr doping on the nature of the perovskite active layer and the photovoltaic performance. As a consequence, the enhanced PCE can be ascribed to the high quality perovskite crystals and a more favorable energy level alignment between the perovskite layer and ZTO mesoporous layer.

研究领域: 材料科学 · 能源科学
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Journal of Energy Storage · 2024 · IF 8.9

Zirconium doping facilitates a vertically aligned NiCoZr-layered hydroxide nanoneedle arrays electrode for hybrid supercapacitors exhibiting a 90,000 cycle durability

Wenxuan Hu,Bin Hu,Ziliang Wu,Min Zuo,Yihu Song,Qiang Zheng,Guorong Shan,Miao Du

LDHs (Layered Double Hydroxides) are a kind of promising cathode material for high-performance hybrid supercapacitor . Nevertheless, it suffers quick capacitance decay after only thousands of cycles, which greatly prevents it from further application. In this contribution, zirconium (Zr) is introduced to the host layer of NiCo-LDH via a simple one-pot hydrothermal process. Owing to the strong bonding energy of Zr O (760 kJ mol −1 ) and special electronic structure (fully empty 4d orbits), the doped Zr could not only act as a structural stabilized element, but also change the mechanism of the energy storage process to alleviate the Jahn-Teller distortion of NiCo-LDH. Moreover, the introduction of Zr boosts an orderly growth of the LDHs, changing from disorder stack structure to vertically aligned nanoneedle arrays, which improve their structural stability. By controlling a varying level of Zr content, the electrode NiCoZr-LDH@CC with a Zr content ratio of 6.4 % delivers the best comprehensive electrochemical performance with a specific capacitance of 1758 F g −1 and good rate performance (73 % capacitance retention at 10 A g −1 ). The assembled asymmetric supercapacitor shows a highest energy density of 42.3 Wh kg −1 at 504 W kg −1 and an ultralong cycling lifespan beyond 90,000 cycles with a 97 % capacitance retention. The results exhibit the great potential of NiCoZr-LDH as a qualified candidate for high-performance hybrid supercapacitors.

研究领域: 材料科学 · 能源存储
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CANADIAN JOURNAL OF CHEMICAL ENGINEERING · 2019 ·Vol. 98 ·期 3 ·767-774 · IF 1.61

Direct oxidation esterification of methacrolein with methanol: Oxygen vacancy promotion of Zr-doped Au/CeO2 nanorods

Yuchao Li,Yun Tian,Yanxia Zheng,Tingting Ge,Zhongjun Fu,Tiantian Jiao,Ming Wang,Haofei Huang,Cuncun Zuo

A series of Zr-doped CeO 2 nanorods supported by Au nanoparticle catalysts with different morphologies were prepared for methyl methacrylate (MMA) synthesis via direct oxidation esterification of methacrolein (MAL) with methanol. Catalytic activities under mild conditions (0.3 MPa; 80°C) were evaluated in the kettle reactor. Different characterization methods, such as XRD, Raman, N 2 adsorption, ICP, TEM, SEM, XPS, and H 2 -TPR techniques, were applied to study the relationship between catalytic activity and structural characteristics, especially the form of Zr doped into the lattice of CeO 2 and the promotion mechanism of selective oxidation. The influence of Au supported on Ce 0.6 Zr 0.4 O 2 nanorods (Au/CZ-R) was also discussed. The results exhibited that the highest catalytic activity for the oxidative esterification with a MAL conversion of 99% and a MMA selectivity of 74% was achieved. The MMA synthesis performance correlated well with the surface oxygen vacancies, in particular for the active oxygen species around the Au particles.

CAS / MDL: 9002-89-5 16940-66-2
研究领域: 催化化学 · 材料科学
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APPLIED SURFACE SCIENCE · 2018 · IF 4.439

Modulation of oxygen vacancy in hydrangea-like ceria via Zr doping for CO2 photoreduction

Lu Li,Pan Li,Yanjie Wang,Lin Lin,Aamir Hassan Shah,Tao He

The defects like oxygen vacancy in a photocatalyst are critical factors to influence the photocatalytic reactivity since they can have an impact on the behavior of photogenerated charge carrier. Since oxygen vacancy can be readily formed in the ceria due to reversible conversion of the oxidation states between Ce 4+ and Ce 3+ , here ceria is used as the target material. A versatile and facile co-precipitation method was adopted to synthesize hydrangea-like Ce 1−x Zr x O 2 (x = 0.00, 0.025, 0.05 and 0.10). The amount of oxygen vacancy in the obtained catalysts can be modulated by altering the molar fraction of doped Zr. The composition, morphology, physico-chemical properties of the as-synthesized Ce 1−x Zr x O 2 were characterized by using different techniques. It is found that Zr doping into the ceria crystal lattice can lead not only to an enhanced specific surface area and surface adsorption capacity for CO 2 , but also to an increased concentration of oxygen vacancy that can exist in the bulk and on the surface. The Zr-doped ceria exhibits an enhanced activity for photoreduction of CO 2 , which can be explained based on the influence mechanism of oxygen vacancy. This work shows that the oxygen vacancy in the ceria can be modulated via a feasible Zr doping approach, which may help design the photocatalysts with high activity for CO 2 photoreduction.

CAS / MDL: 10294-41-4
研究领域: 材料科学 · 化学 · 环境科学 · 催化
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ACS Applied Materials & Interfaces · 2025 · IF 8.2

Constructing Stable and Efficient Solid Electrolytes Based on Zirconium-Doping on Li4Ti5O12 for Solid-State Lithium Metal Batteries

Qiyue Chen,Yikang Zhou,Xiaoyun Zhan,Zewen Sun,Qi Zhou,Lili Liu,Lijun Fu,Xinhai Yuan,Yuhui Chen,Xu Liu,Yuping Wu

Solid-state lithium metal batteries (SSLMBs) represent a prime direction for next-generation high-energy-density storage technologies. As the central component for developing SSLMBs, current research focuses on designing solid-state electrolytes featuring high ionic conductivity and low electronic conductivity, along with low cost. However, great challenges are encountered. This work develops a composite solid electrolyte (CSE) consisting of a doped Li4Ti4.95Zr0.05O12 (LTZO1) and poly(vinylidene fluoride) (PVDF), which has a network structure that enables rapid ion conduction and electron blocking. Density functional theory calculations confirm that Zr doping can get a reduced energy barrier for Li+ transport, with ionic conductivity increasing from 0.228 mS cm–1 to 0.665 mS cm–1 and dramatically suppressing its electronic conductivity from 0.11 mS cm–1 to 2.4 × 10–6 S cm–1. The optimized CSE exhibits enhanced ionic conductivity from 0.171 mS cm–1 to 0.581 mS cm–1, further weakens electronic conductivity, and has a critical current density of up to 5.5 mA cm–2. These excellent properties make solid-state batteries such as Li|LTZO1|LiFePO4 and Li|LTZO1|NCM811 achieve good performance, including capacity and cycling. This study provides an effective strategy for preparing practical CSEs for SSLMBs.

研究领域: 材料科学 · 电化学 · 能源存储 · 固态离子学 · 电池技术
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CERAMICS INTERNATIONAL · 2025 · IF 5.6

Parameter optimization and performance enhancement of zirconia-doped alumina fibers via solution centrifugal spinning

Yue You,Yanjun Li,Donghua Liu,Daofeng Sun,Longlong Jiang,Wenzhao Zhang,Jin Chen,Donghai Ding,Guoqing Xiao

In this work, a straightforward and high efficiency centrifugal spinning process was employed to fabricate alumina fibers with exceptional performance. The preparation parameters were optimized through an orthogonal test. Zirconia-doped alumina ceramic fibers with diameters around 1 μm were successfully produced using the optimized parameters. Analysis, including XRD, Raman, FTIR, and TEM, confirmed that the addition of ZrO 2 in alumina inhibited the crystallization of alumina at high temperatures. Consequently, the resulting fibers exhibited enhanced compressive resilience. Furthermore, the zirconia-doped alumina fibers demonstrated outstanding high-temperature stability (>1000 °C) and thermal insulation performance. Low pressure drops and high-efficient filtration for removing submicron particulate matter (PM) in flue gas were attained by using the fiber mats for the filtration. The zirconia-doped alumina fibers prepared in this work through solution centrifugal spinning methods are attractive for use in high-temperature thermal management and industrial high temperature flue gas filtration.

CAS / MDL: 7585-20-8
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SOLID STATE IONICS · 2025 · IF 3.3

Hydration and conduction behavior of Sc and Zr-substituted Ba7Nb4MoO20

Sara Adeeba Ismail,Lulu Jiang,Hui Guo,Wenhao Li,Donglin Han

Ba 7 Nb 4 MoO 20 has acceptably high ionic conductivity at 600–800 °C and is attractive for potential application in high temperature solid state electrochemical devices. Up to now, most of the research focuses on isovalent and donor-doping to improve the electrical properties of Ba 7 Nb 4 MoO 20 . In this work, an acceptor-doping strategy was taken by doping Sc and Zr to partially substitute Nb. More vacant oxygen sites thereby form for charge compensation, leading to the increasing proton concentration following the compositional sequence of hydrated Ba 7 Nb 4 MoO 20  < Ba 7 Nb 3.97 Zr 0.03 MoO 19.985  < Ba 7 Nb 3.97 Sc 0.03 MoO 19.97 . Notably, both the H 2 O/D 2 O isotope effect and EMF measurements indicate that the proton conduction – if there is any – is negligibly small, and the Sc and Zr-doped Ba 7 Nb 4 MoO 20 is essentially an oxide ion conductor in the temperature range studied in this work.

研究领域: 材料科学 · 固体离子学 · 电化学
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ACS Sustainable Chemistry & Engineering · 2025 · IF 7.3

Nanoscale Confinement of Indium Oxide for Enhanced CO2 Hydrogenation to Methanol

Xiarui Yan,Junsheng Chen,Zhaorui Kong,Xinyi Wan,Youmin Hou,Bin Hua

Research on CO2 hydrogenation catalysts, particularly In2O3-based materials, is crucial for developing sustainable CO2 utilization and chemical production technologies, contributing to a cleaner future. We address the critical challenge of efficient and stable CO2 conversion by developing a novel Zr-doping strategy to enhance In2O3 catalyst performance for CO2 hydrogenation to methanol. Our key contribution is identifying the nanoscale confinement effect as crucial for optimizing both the activity and stability of In2O3 catalysts. By leveraging this nanoscale confinement effect, we have precisely controlled the size, dispersion, and reducibility of In2O3 nanoparticles, resulting in the formation and stabilization of highly active In2O3–x with oxygen vacancies. This confinement also effectively suppresses In0 migration and sintering, dramatically improving catalyst stability. The resulting Zr-doped catalysts exhibit significantly higher activity and stability compared to the undoped In2O3/ZrO2 catalyst, achieving a remarkable space-time yield of 4.708 gMeOH gIn–1 h–1 and demonstrating durability under industrially relevant conditions. This discovery offers a promising new direction for the rational design of high-performance CO2 hydrogenation catalysts and lays the foundation for future advances in sustainable catalysis.

CAS / MDL: 25249-54-1 9003-39-8
研究领域: 催化 · 纳米技术 · 材料科学 · 环境科学 · 化学工程
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ChemSusChem · 2016 ·Vol. 9 ·期 19 ·2759-2764 · IF 7.116

Rational Design of Zirconium-doped Titania Photocatalysts with Synergistic Brønsted Acidity and Photoactivity

Runyuan Ma,Liang Wang,Bingsen Zhang,Xianfeng Yi,Anmin Zheng,Feng Deng,Xuhua Yan,Shuxiang Pan,Xiao Wei,Kai-Xue Wang,Dang Sheng Su,Feng-Shou Xiao

Graphical Zirc-S maximus : A zirconium-doped anatase catalyst (S-Zr-TiO 2 ) is prepared. The catalyst features zirconium sites with Brønsted acidity uniformly distributed on the sub-10 nm anatase crystals. The S-Zr-TiO 2 catalyst exhibits high catalytic activity towards the degradation of phenol under visible-light illumination, owing to a synergistic effect of the Brønsted acidity and photoactivity. The preparation of photocatalysts with high activities under visible-light illumination is challenging. We report the rational design and construction of a zirconium-doped anatase catalyst (S-Zr-TiO 2 ) with Brønsted acidity and photoactivity as an efficient catalyst for the degradation of phenol under visible light. Electron microscopy images demonstrate that the zirconium sites are uniformly distributed on the sub-10 nm anatase crystals. UV-visible spectrometry indicates that the S-Zr-TiO 2 is a visible-light-responsive catalyst with narrower band gap than conventional anatase. Pyridine-adsorption infrared and acetone-adsorption 13 C NMR spectra confirm the presence of Brønsted acidic sites on the S-Zr-TiO 2 sample. Interestingly, the S-Zr-TiO 2 catalyst exhibits high catalytic activity in the degradation of phenol under visible-light illumination, owing to a synergistic effect of the Brønsted acidity and photoactivity. Importantly, the S-Zr-TiO 2 shows good recyclability.

研究领域: 材料科学 · 催化 · 环境化学
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ELECTROCHIMICA ACTA · 2016 · IF 4.803

Zr-doped P2-Na0.75Mn0.55Ni0.25Co0.05Fe0.10Zr0.05O2 as high-rate performance cathode material for sodium ion batteries

Zheng-Yao Li,Rui Gao,Limei Sun,Zhongbo Hu,Xiangfeng Liu

In this work, Zr 4+ doped P2-Na 0.75 Mn 0.55 Ni 0.25 Co 0.05 Fe 0.10 Zr 0.05 O 2 has been synthesized and investigated as high-rate sodium-ion battery cathode material for the first time. XRD results indicate that Zr-ion with a big size cannot completely dissolve into the crystal structure, but the residual ZrO 2 shows little impact on the electrochemical performance in comparison with the post-added ZrO 2 . With the substitution of Zr 4+ for Fe 3+ , the lattice parameter a decreases but c increases, resulting in the reduced lattice volume. In comparison with the Zr-free sample, Na 0.75 Mn 0.55 Ni 0.25 Co 0.05 Fe 0.10 Zr 0.05 O 2 (Zr05) can deliver a discharge capacity of about 95, 74, 61 and 53   mAh   g −1 at 2C, 5C, 8C and 10C. At the current density of 2C, the capacity retention after 100 cycles has increased from 57% of Zr0 to 74% of Zr05. The results demonstrate that Zr-ion substitution can effectively improve the rate performance and cycling stability of P2-structure cathode materials. The role of Zr 4+ can be summarized as follows: (1) Zr-O ( △H f 298K (Zr-O)   =   760   kJ   mol −1 ) has a stronger bond energy than that of Fe O ( △H f 298K (Fe-O)   =   409   kJ   mol −1 ), which enhances the structure stability and cycling performance; (2) the aliovalent substitution of Zr 4+ for Fe 3+ enhances the electronic conductivity, which is favorable for the rate capability; (3) the substitution of Zr 4+ for Fe 3+ can be beneficial to Na + conduction because it increases disorder in the transition metal (TM) layers and can prevent Na+/vacancy ordering, which further enhances the rate capability.

研究领域: 材料科学 · 电化学 · 能源存储 · 无机化学 · 固态化学
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CHEMICAL ENGINEERING SCIENCE · 2023 · IF 4.7

CrOx/Ce1−xZrxO2 for chemical looping propane oxidative dehydrogenation: The redox interaction between CrOx and the support

Xinyi Chen,Xin Tian,Chaohe Zheng,Haibo Zhao

Propane dehydrogenation is an attractive alternative for propylene production to petroleum-based routes. However, overcoming deactivation and toxicity of catalysts in propane direct dehydrogenation (PDH), and over oxidation in oxidative dehydrogenation (ODHP) remain challenging. Here, a chromium-based catalyst supported on a Ce-Zr solid solution is constructed for chemical looping oxidative propane dehydrogenation (CL-ODHP). A dual modulation of oxygen species by Zr doping was unraveled by characterizations and DFT calculation: the oxygen of surface CrO x was constrained while the oxygen mobility of the Ce-Zr support was promoted. Based on these properties, the interaction between surface CrO x and the support further enables an oxygen “donor–acceptor”, which potentially functions as in situ activation and regeneration of redox CrO x species as well as blockage of non-selective oxygen released from the Ce-Zr support. The optimized material (7.5Cr/Ce 0.8 Zr 0.2 O 2 ) achieves propane conversion up to 50% and propylene yield of 31% at 600 °C, and has the lowest Cr content among previously reported Cr-based catalysts that have comparable performance. These results provide insights for the design of highly active and selective redox catalysts for chemical looping as a reaction engineering strategy for the upgrading of propane dehydrogenation processes.

CAS / MDL: 10294-41-4
研究领域: 催化 · 化学工程 · 材料科学 · 表面化学
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CERAMICS INTERNATIONAL · 2025 ·Vol. 51 ·期 25 ·45270-45278 · IF 5.6

High energy storage performance of BaTiO3-based films via breakdown strength and polarization properties synergistic optimization

Xue Zhang,Chao Yin,Changhai Zhang,Xu Tong,Jianzeng Guo,Tiandong Zhang,Xubin Wang,Qingguo Chi

Dielectric film capacitors, with remarkable high-power densities, charge-discharge speed, and thermal stability, are promising candidates in advanced power electronics technology. However, the capacitor films still face bottleneck problems of low energy storage density and high energy loss. This study presents a novel modification method designed to synergistically enhance both the breakdown strength and polarization properties of barium carbonate (BaTiO 3 , BTO)-based composite films through Zr 4+ doping and sodium bismuth titanate (Na 0.5 Bi 0.5 TiO 3 , NBT) solid-solution modification. The 0.94BaZr 0.2 Ti 0.8 O 3 -0.06NBT composite films synthesized on Pt/Ti/SiO 2 /Si substrates by sol-gel method exhibit exceptional energy storage performance. Notably, the composite films achieve an impressive recoverable energy density ( W rec ) of 62.08 J/cm 3 and a high charge-discharge efficiency( ղ ) of 85.18 % at the electric field of 6117 kV/cm. The promising results highlight the tremendous potential of the modified BTO-based composite films for transformative applications in advanced energy storage systems.

CAS / MDL: 1071-76-7
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