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ZrO2
Catalysis Science & Technology · 2022 ·Vol. 12 ·期 22 ·6782-6794 · IF 6.177

Effect of calcination temperature on the Cu–ZrO2 interfacial structure and its catalytic behavior in the hydrogenation of dimethyl oxalate

Yuxi Xu,Huijiang Huang,Lingxin Kong,Xinbin Ma

Copper–zirconium catalysts have been extensively applied in the hydrogenation of carbon–oxygen bonds such as in CO2 and esters. However, high-performance Cu/ZrO2 catalysts with low copper loading for dimethyl oxalate (DMO) hydrogenation to ethylene glycol (EG) are seldom reported. Herein, we fabricated 5 wt% Cu/ZrO2 catalysts by a co-precipitation method and investigated the effect of calcination temperature on the catalyst structure and the corresponding catalytic performance. The crystallization and migration of zirconium and copper species are not simultaneous when increasing the calcination temperature, so the elemental composition of Cu and Zr species is different on the surface and in the bulk CuZrO2 solid solution. The crystalline morphology of ZrO2 is transformed from a-ZrO2 to t-ZrO2 and m-ZrO2 and copper dispersion is also changed. The CZ-600 catalyst has the largest copper dispersion, surface area of Cu0 and Cu+ and strongest H2 adsorption ability, which endow this catalyst with the best catalytic performance. However, TOF values are the largest for the CZ-550 catalyst with a larger ratio of Cu+, oxygen vacancies and Zr3+, which suggests the interfacial synergy between Cu and ZrO2 in DMO hydrogenation. And further increasing the calcination temperature to above 700 °C will cause the aggregation and sintering of copper nanoparticles and deteriorate the hydrogenation reactivity.

研究领域: 催化化学 · 材料科学
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Journal of Macromolecular Science Part A-Pure and Applied Chemistry · 2019 · IF 1.163

Synthesis and properties of MoO3/ZrO2 solid acid catalysts for the preparation of polydimethylsiloxane (PDMS) via octamethylcyclotetrasiloxane (D4) ring-opening

Fengfu Li,Changhui Li,Chunda Ji,Xiaoyong Hu,Yunwei He,Yu Sun,Zhi Yun

A series of MoO3/ZrO2 catalysts were prepared by impregnation method, and characterized by X-ray diffraction (XRD), specific surface area (BET) and temperature-programmed desorption of NH3 (NH3-TPD). The polydimethylsiloxane (PDMS) was prepared by ring-opening polymerization from D4 and MM with MoO3/ZrO2 catalysts. The effects of MoO3/ZrO2 catalysts preparation conditions on PDMS molecular weight and reaction conversion rate were discussed. Moreover, the effects of reaction conditions on the ring-opening polymerization were also studied. During the preparation of PDMS, the molecular weight of the product can be controlled by adjusting the mass ratio of D4:MM. The MoO3/ZrO2 catalyst was compared with other catalysts during the ring-opening process, and the repeated times of MoO3/ZrO2 catalysts were also studied. The results showed that MoO3/ZrO2 catalyst had more excellent catalytic performance, for ring-opening process, and when the repeated times was more than 5, the catalytic activity decreased significantly. In addition, the kinetics of D4 ring-opening polymerization with the MoO3/ZrO2 catalyst was investigated.

研究领域: 催化化学 · 高分子化学 · 材料科学 · 化学工程
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MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING · 2021 · IF 3.927

Crystal structure and electrical conductivity of {(ZrO2)0.92(Y2O3)0.08}1-x(CuO)x (x=0, 0.1, 0.2 and 0.3)

Yihang Dong,Xiangnan Wang,Ye Han,Shuyu Yao

{(ZrO 2 ) 0.92 (Y 2 O 3 ) 0.08 } 1- x (CuO) x (ZYC) synthesized by the co-precipitation method with different stoichiometry ( x =0, 0.1, 0.2 and 0.3) are evaluated through thermogravimetric-differential scanning calorimetry (TG-DSC), X-ray diffraction (XRD) and electrical conductivity using an electrochemical workstation and the effects of CuO doping content on the above properties are researched, respectively. The results are discussed in terms of the potential as diffusion barrier material to be applied in diffusion barrier limiting current oxygen sensors application at temperatures from 500 to 850 °C. Results derived from TG-DSC shows that the weight loss of the sample is mainly due to the decomposition of the precursor, forming ZYC above ~600 °C. XRD analysis shows that the ZYC sample is a cubic phase and the CuO doping is benefit to the crystallinity of ZYC. The electrical conductivity results indicate that the total conductivity decreases for ZYC1 but then increases with the increase of CuO doping content and reaches the maximum total conductivity of 2.02 × 10 −1  S cm −1 at 850 °C and the activation energy ( E a ) is 0.93 eV for ZYC3.

研究领域: 材料科学 · 化学
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ACS Catalysis · 2026 · IF 13.6

Promoting Cu/ZnOx Interface Formation and Zn-H-Zn Activation in Industrial CuZnAl Catalysts via ZrO2 Doping for Methanol Synthesis

Wang Kaixin,Dang Shanshan,Tong Qi,Gao Peng,Ni Xiaolu,Zhang Zhenzhou,Tu Weifeng

Although industrial Cu/ZnO/Al 2 O 3 catalysts are highly promising for methanol synthesis from CO 2 hydrogenation, identifying the nature of the surface active structure and establishing a quantitative structure-activity relationship remain elusive. Herein, through integrated qualitative, titration, and isothermal adsorption characterizations, we elucidate how Zr species promotion tailors the electronic and structural properties of Cu/ZnO x interfacial sites—the primary active sites. A substantial methanol STY of 0.813 g g cat –1 h –1 is achieved over the Cu/ZnO/Al 2 O 3 -2Zr catalyst at 503 K and 3 MPa with an H 2 /CO 2 ratio of 4 and a GHSV of 40,000 mL g cat –1 h –1 , a 23.9% leap over the pristine benchmark. Mechanistically, a linear dependence of CO 2 conversion on the density of Cu/ZnO x interfacial sites is established, which originates from the improved dispersion of both ZnO and Cu induced by moderate ZrO 2 incorporation. Electronic analyses reveal that Zr species acts as an electron donor to ZnO x , enriching its electron density. This electronic modulation facilitates H 2 dissociation and the surface Zn-H-Zn species formation even at low temperature, selectively driving the intermediate hydrogenation to methanol. In situ spectroscopies identify a sequential HCOO* → CH 3 O* hydrogenation pathway for methanol synthesis. Ultimately, this work establishes a definitive quantitative structure-activity relationship, paving a clear path for designing advanced industrial methanol catalysts.

✓ 已验证 DOI 高影响因子
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Surfaces and Interfaces · 2026 · IF 6

Yttrium Doping in Fe/ZrO2 for Enhanced CO2-Ethane Oxidative Dehydrogenation via Promoting Oxygen Vacancy Formation and Lattice Oxygen Mobility

Wenyuan Long,Haonan Niu,Ziqi Wang,Jiaqi Qiu,Jingyu Ran,Zhongqing Yang

CO 2 -assisted oxidative dehydrogenation of ethane to ethylene is a potential low-carbon process for CO 2 utilization and ethane upgrading. The key bottleneck of this reaction is the extent to which catalytic active sites can efficiently activate C=O bonds in CO 2 and precisely control the selective cleavage of C–C/C–H bonds in ethane. Herein, combined with catalytic activity evaluation, catalyst characterization, and density functional theory (DFT) calculations, this study systematically investigates the effect of rare earth metal (Ce, La, and Y) modification on the performance of Fe/ZrO 2 catalysts in ethane dehydrogenation with CO 2 . The results demonstrate that the Y-modified 3Fe/3Y-ZrO 2 catalyst achieves an ultrahigh C 2 H 4 selectivity of 89.8%. The underlying mechanism is as follows: Y doping markedly strengthens the metal-support interaction and lowers the formation energy of oxygen vacancies, thereby generating more oxygen vacancies. This enhancement promotes the mobility of active oxygen species, facilitating the release of more lattice oxygen, which acts as active sites to efficiently promote the cleavage of C–H bonds in ethane, thereby improving ethylene selectivity. Meanwhile, the O* species derived from reductive oxygen vacancies (O v ) are replenished through the cleavage of C=O bonds in CO 2 , further strengthening CO 2 activation. Additionally, Y doping enhances the specific surface area and pore volume of the 3Fe/3Y-ZrO 2 catalyst, increasing the exposure of active sites and further enhancing catalytic performance. This study provides novel research insights for the directed high-value conversion of CO 2 .

✓ 已验证 DOI 高影响因子
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Coatings · 2026 ·Vol. 16 ·期 9 ·1110 · IF 3.4

Effect of Molten-Salt Chemistry on Phase Evolution and Corrosion Degradation of Sc2O3-Y2O3 Co-Stabilized ZrO2 Thermal Barrier Ceramics

Maomao Guo,Zhigang Wang,Min Xie,Rende Mu,Xiwen Song,Yonghe Zhang,Ting Wang

The corrosion resistance of electron-beam physical vapor-deposited (EB-PVD) zirconia thermal-barrier coatings depends on ceramic phase stability. Here, conventional 8YSZ and two Sc2O3-Y2O3co-stabilized ZrO2coatings, ScYSZ and ScYSZ with an Al-rich interlayer (ScYSZA), were comparatively investigated under three chloride-containing environments: NaCl (N) corrosion, high-temperature Na2SO4-NaCl (NN) corrosion, and Na2SO4-NaCl-V2O5(NNV) corrosion. Phase evolution and microstructural degradation were examined by X-ray diffraction, Raman spectroscopy, scanning electron microscopy, and energy-dispersive spectroscopy. Under N exposure, the ceramic top coats largely retained the tetragonal t′-ZrO2phase, whereas degradation was concentrated near the ceramic/bond-coat interface. NN corrosion caused limited bulk phase transformation. The most pronounced degradation occurred under NNV exposure, particularly in 8YSZ, where extensive YVO4formation and progressive t′→m transformation were accompanied by substantial disruption of the columnar ceramic structure. After 100 h of NNV corrosion, 8YSZ contained only 23.7 wt.% t′-ZrO2. In contrast, ScYSZ and ScYSZA retained 82.6 and 84.4 wt.% t′-ZrO2, respectively, confirming the superior phase stability and corrosion resistance of the ScYSZ-based coatings, particularly ScYSZA. These results demonstrate that chloride-containing environments produce distinct degradation pathways involving interfacial oxidation, corrosive-species ingress, and phase destabilization, highlighting the importance of integrating ceramic composition with coating architecture to improve the durability of EB-PVD thermal-barrier coatings.

✓ 已验证 DOI 高影响因子
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

SiBCN–ZrO2 aerogel-modified carbon-bonded carbon fiber composite with enhancement of in-plane thermal conductivity for thermal protection applications

Xinqiao Wang,Yongqiang Tao,Ning Zhou,Xiaoguang Luo,Bin Ma,Baosheng Xu

Hypersonic vehicles operate under conditions of extreme aerodynamic heating, which presents significant challenges for the design of thermal protection system (TPS). Carbon-bonded carbon fiber (CBCF) composites, known for their exceptional thermal stability, lightweight and oxidative resistance, are highly desirable materials for TPS; nevertheless, their inherent anisotropy in thermal conductivity constrains the efficiency of in-plane heat transfer under severe thermal gradients. Herein, we developed an innovative CBCF composite impregnated with SiBCN–ZrO 2 aerogels (CBCF/SiBCN–ZrO 2 ), which establishes a synergistic architecture to enhance the efficiency of in-plane heat dissipation, thereby mitigating temperature gradients and improving thermal management. The precursor aerogel intended for the matrix was primarily investigated. The CBCF/SiBCN–ZrO 2 composite was synthesized through a solvothermal reaction following infiltration. Microscopic morphology analysis revealed that the aerogel matrix effectively encapsulated and filled the interior of the modified CBCF framework. The lightweight CBCF/SiBCN–ZrO 2 composite exhibited a density of 0.25–0.26 g/cm 3 , with compressive strengths of 2.82–3.19 MPa and 1.30–1.39 MPa in the in-plane (IP) and through-the-thickness (TTT) directions, respectively. The dual functionality of both thermal insulation and in-plane conduction was characterized and verified through quantitative thermal conductivity testing, as well as qualitative assessments of its insulation and in-plane heat‑leading properties. The sample with a single 0.2 mm-thick heat‑leading layer exhibited thermal conductivities of 29.35 W/(m·K) in the IP direction and 0.075 W/(m·K) in the TTT direction. This nearly 400-fold anisotropic difference endows the sample with highly efficient thermal management capabilities, potentially addressing the critical requirements for multifunctional TPS in aerospace applications.

CAS / MDL: 1071-76-7 9003-05-8
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Molecular Catalysis · 2025 · IF 4.9

Phase structure impact of ZrO2 on the synthesis of 1,2-butylene carbonate via transesterification of 1,2-butanediol and dimethyl carbonate

Hafsa Aftab,Jiajun Zhang,Yan Cao,Fengqin Guo,Shuang Xu,Peng He,Huiquan Li,Liguo Wang

Cyclic carbonates are valuable green chemicals with wide-ranging applications, but their conventional synthesis often involves toxic reagents or inefficient catalytic systems. In this work, zirconia catalysts with different crystalline phases (tetragonal, monoclinic, and mixed-phase) were developed and evaluated for the transesterification of 1,2-butanediol with dimethyl carbonate. The tetragonal ZrO 2 ( t -ZrO 2 ) exhibited superior catalytic activity (space-time yield of 41.76 g 1,2-BC g cat. −1 h −1 ) due to favorable surface properties and exposed active (101) facet. This study establishes a green, efficient route for 1,2-butylene carbonate synthesis, providing key insights into catalyst structure-activity relationships.

CAS / MDL: 616-38-6
✓ 已验证 产品关联 DOI 高影响因子
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MICROCHEMICAL JOURNAL · 2025 · IF 5.1

Inhibition-type SERS strategy based on silver nanowires@ZrO2 composite substrate: Achieving high-sensitivity and specific detection of methyl parathion

Jing Shang,Feina Niu,Zhiwei Cai,Yindong Tan,Yaxing Zhang,Runan Tan,Hanping He,Yunbin He,Gang Chang

Surface-enhanced Raman scattering (SERS) technology is limited in the direct detection of molecules with weak Raman scattering such as methyl parathion (MP). Development of an indirect detection strategy for weakly Raman active substances is essential. Herein, a novel SERS detection method was developed for the inhibition-type indirect detection of MP with ZrO 2 -coated silver nanowires (AgNWs@ZrO 2 ) as substrate. The mechanism relies on specific MP adsorption through Zr 4+ Lewis acid sites and P/S-ZrO 2 interactions, which spatially and electronically suppresses 4-MBA probe signals, and then the quantitative relationship between the measured object and the decline value of Raman intensity can be established. With the gradual increase of MP concentration in the range of 0.5 ng/mL ∼ 1 μg/mL, the SERS intensity of 4-MBA decreased accordingly, showing a good linear relationship (R 2  = 0.996), and the analytical enhancement factor (AEF) reached 1.6 × 10 6 , overcoming traditional SERS limitations for the molecules with weak Raman scattering. The ZrO 2 layer maintains electromagnetic coupling while preventing oxidation, thereby enhancing the reproducibility, uniformity and stability of the substrate during the analysis process. The prepared AgNWs@ZrO 2 was successfully applied for trace detection of MP residues in pear peel and apple juice. This study is expected to provide a simple and feasible method for trace detection of the molecules with weak SERS activity.

研究领域: 分析化学 · 纳米技术 · 环境监测 · 食品安全
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JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY · 2024 ·Vol. 110 ·期 3 ·910-921 · IF 2.3

Structural characterization of electrospun ZrO2-based catalytic nanofibers modified with B2O3 and their performance in bromination reaction of phenol red

Jin Xiaotong,Yuan Kangkang,Ji Xingxiang,Li Chengshun

Porosity and thermal stability are the main constraints that determine the performance of zirconia (ZrO 2 ) for a wide range of applications, including adsorption, catalysis, filtration, etc. Here, we have proposed the rational design of electrospun ZrO 2 nanofibers (NFs) with high surface areas and good thermal stability. Water vapor pre-treatment was used to modify the surface structure of the NFs with the removal of soft templates at a lower temperature. In addition, amorphous B 2 O 3 was introduced into the ZrO 2 NFs to improve the thermal stability of the porous structure. The as-prepared NFs had high surface area of 380 m 2 /g and even 300 m 2 /g after heat treatment at 450 °C. The catalytic activity of modified ZrO 2 NFs as support materials in bromination reaction of phenol red was tested. And a high specific bromination activity of 3.02 mmol h −1 g −1 was obtained. This work could provide promising strategies for preparing electrospun porous oxide NFs with high surface area and good thermal stability in order to optimize performance. Graphical Abstract

CAS / MDL: 57219-64-4 68441-17-8
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ACS Nano · 2024 · IF 15.8

Integration of Co Single Atoms and Ni Clusters on Defect-Rich ZrO2 for Strong Photothermal Coupling Boosts Photocatalytic CO2 Reduction

Jinghang Chen,Yuqi Ren,Yiwei Fu,Yitao Si,Jie Huang,Jiancheng Zhou,Maochang Liu,Lunbo Duan,Naixu Li

We report a solvothermal method for the synthesis of an oxygen vacancy-enriched ZrO2 photocatalyst with Co single atoms and Ni clusters immobilized on the surface. This catalyst presents superior performance for the reduction of CO2 in H2O vapor, with a CO yield reaching 663.84 μmol g–1 h–1 and a selectivity of 99.52%. The total solar-to-chemical energy conversion efficiency is up to 0.372‰, which is among the highest reported values. The success, on one hand, depends on the Co single atoms and Ni clusters for both extended spectrum absorption and serving as dual-active centers for CO2 reduction and H2O dissociation, respectively; on the other hand, this is attributed to the enhanced photoelectric and thermal effect induced by concentrated solar irradiation. We demonstrate that an intermediate impurity state is formed by the hybridization of the d-orbital of single-atom Co with the molecular orbital of H2O, enabling visible-light-driven excitation over the catalyst. In addition, Ni clusters play a crucial role in altering the adsorption configuration of CO2, with the localized surface plasmon resonance effect enhancing the activation and dissociation of CO2 induced by visible–near-infrared light. This study provides valuable insights into the synergistic effect of the dual cocatalyst toward both efficient photothermal coupling and surface redox reactions for solar CO2 reduction.

研究领域: 材料科学 · 环境科学 · 催化化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MICROCHIMICA ACTA · 2021 ·Vol. 188 ·期 3 ·1-10 · IF 5.833

Construction of an electrochemical sensor with graphene aerogel doped with ZrO2 nanoparticles and chitosan for the selective detection of luteolin

Hou Xiudan,Wu Wei,Zhao Fangyuan,Xie Wancui,Yang Qingli

A simple, fast and sensitive method for the detection of luteolin is proposed based on the chitosan/reduced graphene oxide aerogel with dispersed ZrO 2 nanoparticles modified glassy carbon electrode (ZrO 2 /CS/rGOA-GCE) as an electrochemical sensor. The ZrO 2 /CS/rGOA composite was prepared by one pot synthesis from a mixture of GO, CS and zirconyl chloride octahydrate, and subsequently be freeze-dried. Scanning electron microscope images showed a typical thin, wrinkled and fluctuant morphology of graphene nanosheets and the polymerized CS and ZrO 2 nanoparticles deposited on the surface of rGOA. Cyclic voltammetry and differential pulse voltammetry were used to measure the electrochemical response of ZrO 2 /CS/rGOA composite-based biosensor towards luteolin at the working potential window (−0.8–0.8 V). The improved performance of this biosensor was attributed to efficient electron transfer and large surface area of 3D rGOA, and high specific activity of Zr towards adjacent hydroxyl groups. Under optimized conditions, the analytical performance of this method towards luteolin was investigated with a detection limit of 1 nM and a linear range from 5 nM to 1000 nM.. Finally, the ZrO 2 /CS/rGOA-GCE electrochemical method coupled with solid phase extraction was used for the detection of luteolin in real samples. Recoveries of  spiked samples with different concentrations were in the range 78.6–103.3% with a relative RSD lower than 12.0%. Schematic representation of the preparation of the ZrO 2 nanoparticles and chitosan doped graphene aerogel modified electrode. The electrode was employed for the detection of luteolin coupled with the solid-phase extraction technique.

研究领域: 分析化学 · 材料科学 · 植物化学
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