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BaTiO3
Materials Today Communications · 2022 · IF 3.662

Selective distribution of BaTiO3 and graphene in PS/PVDF blends: Molecular dynamics simulations

Ruitian Bo,Jihua Wang,Chunfeng Wang,Yongliang Wang,Peigang He,Zhidong Han

The selective distribution of inorganic particles in polymer blends is of great significance in designing the composites with excellent properties such as dielectric properties . Molecular dynamics (MD) was applied in this paper to simulate the distribution of BaTiO 3 (BT) and graphene nanoplatelets (GNP) in polystyrene/polyvinylidene fluoride (PS/PVDF) blends. The models of PS and PVDF were built and the phase structure of the blends was simulated at the different PS/PVDF mass ratios. According to the results of solubility parameter and Flory-Huggins interaction parameter (χ), the immiscibility between PS and PVDF was illustrated and the phase transition phenomena were predicted. Combined with the SEM observations, the co-continuous structure of the blend at the PS/PVDF ratio of 6/4 was obtained at the maximal χ value. The binding energy and radial distribution function were calculated to predict the selective distribution of BT or GNP in PS/PVDF blends. According to the results of the MD simulations, the distribution of BT in the PVDF phase and GNP in the PS phase were successfully predicted, which were in good agreement with the experimental results by SEM observations and EDS element mapping. The MD simulations would be effective in building the co-continuous immiscible blends and predicting the selective distribution of functional fillers, which will be helpful for the investigation of functional composites with high performance.

CAS / MDL: 12047-27-7
研究领域: 材料科学 · 计算化学
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Piezoelectric effect-assisted Z-scheme heterojunction ZnIn2S4/BaTiO3 for improved photocatalytic reduction of CO2 to CO

Shanyue Lu,Shengwei Zhang,Linlin Li,Cong Liu,Zhou Li,Dan Luo

Converting CO 2 into high-value-added chemicals by artificial photosynthesis technology effectively solves environmental problems and energy shortages. Nevertheless, it remains challenging to improve CO 2 conversion rates due to low photo-utilization and rapid electron-hole recombination. In this study, we successfully synthesized direct Z-scheme ZnIn 2 S 4 /BaTiO 3 heterojunction structure by a hydrothermal method. Specifically, compared with previous studies of various heterojunction catalysts, ZnIn 2 S 4 /BaTiO 3 heterojunction structure achieved a remarkably high yield of 105.89 μmol g -1 h - 1 , increasing 2.55 and 3.62-fold over the individual performance of ZnIn 2 S 4 and BaTiO 3 , respectively. Our investigation of photocatalytic mechanism suggest that the improved photocatalytic CO 2 reduction performance can be attributed to the synergistic effects of the piezoelectric effect and Z-scheme electron transfer mechanism. These effects can synergistically enhance space charge separation and retain photogenerated electrons, thereby facilitating a more efficient CO 2 reduction process. Consequently, this innovative piezoelectric effect-assisted Z-scheme heterojunction demonstrates immense potential to offer a novel strategy for addressing CO 2 reduction challenges and advancing sustainable energy development.

研究领域: 材料科学 · 环境科学 · 化学
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JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY · 2014 · IF 1.61

Growth Mechanism, Modified Morphology and Optical Properties of Coral-like BaTiO3 Architecture through CTAB Assisted Synthesis

Pengjun Zhao,Lei Wang,Liang Bian,Jinbao Xu,Aimin Chang,Xinqian Xiong,Fanglong Xu,Jiaqi Zhang

Three-dimensional hierarchical structure coral-like BaTiO 3 nanoparticles have been self-assembled by a facile one step hydrothermal method . Cetyltrimethyl ammonium bromide (CTAB), Ba(OH) 2 ·8H 2 O and tetrabutyl titanate have been used as precursors. The prepared BaTiO 3 exhibits cubic perovskite phase at room temperature, and the coral-like architecture is a micro-nano hiberarchy consisted of dendrimer-like structure and trunk-like structure. By adjusting the hydrothermal duration and the precursor substances, a surfactant induced mechanism is proposed to understand the self-assembly process. UV-vis measurement demonstrates that the as-prepared BaTiO 3 nanoparticles exhibit dozens of times overwhelming absorptive character compared to the ordinary nanospheres at ultraviolet band, which is benefited from the coral-like porous framework. Moreover, halogen anions( F − , Cl − , Br − , and I − ) have been chosen to adjust the coral-like BaTiO 3 physical properties. Results show the halogen doping produces distinct modulation effect on the grain size, UV-vis absorbance and photoluminescence properties of the materials. The coral-like BaTiO 3 nanoparticle and its halogen modified ramifications offer significant opportunities to develop nano-laser devices, photon detectors, photocatalyst based on BaTiO 3 perovskite materials.

研究领域: 材料科学 · 纳米技术
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

BaTiO3-assisted exfoliation of boron nitride nanosheets for high-temperature energy storage dielectrics and thermal management

Min Wu,Liusi Yang,Yuanliang Zhou,Jie Jiang,Lin Zhang,Tingke Rao,Peng Yang,Bilu Liu,Wugang Liao

Currently, massive preparation of boron nitride nanosheets (BNNSs) towards large-size and good structural integrity via ball milling remains a key challenge, limiting its extensive applications in thermal management and energy storage. Low-cost and recyclable BaTiO 3 nanoparticles with good piezoelectric effect can concurrently act as collision buffers and strong reductants to suppress the in-plane crystal structure damage and surface oxidation triggered by high-energy mechanical impact. Herein, an environmentally friendly, simple to operate and easy to realize industrial production method, referred to as BaTiO 3 -assisted ball milling (BTABM), is demonstrated to prepare high quality few-layered BNNSs with an average lateral size of 0.56 μm and a high yield of 91.2%. This milling process involves the synergetic effects of mechanical shear and mechanochemical peeling provided by deformed BaTiO 3 . The incorporation of the prepared BNNSs into the P(VDF-CTFE) matrix by BTABM effectively improved simultaneously the dielectric properties and breakdown strength of the ternary P(VDF-CTFE)/BaTiO 3 /BNNS nanocomposites as well as their thermal management capability, due to the formation of 3D BNNS networks. This novel method provides a guidance for not only scalable exfoliation of other layered 2D materials but also massive fabrication of polymeric nanocomposites applied in high-temperature energy storage devices.

CAS / MDL: 12047-27-7
研究领域: 材料科学 · 能源存储 · 热管理
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APPLIED SURFACE SCIENCE · 2025 · IF 6.9

Dual piezoelectric effect BaTiO3/PbTiO3 heterojunction for enhanced photocatalytic performance

Yukai Chen,Yiyi Ji,Ruizhe Wang,Dan Wang,Jiaojiao Fang,Rulin Dong,Baoying Dai

Recombination of photoinduced electrons and holes inhibits the photocatalytic efficiency. To boost the separation of carriers, constructing heterojunction and built-in piezoelectric field are necessary. Herein, a novel BaTiO 3 /PbTiO 3 (BTO/PTO) S-scheme heterojunction with dual piezoelectric effect was proposed for the first time. The combination of PTO nanofibers and BTO nanoparticles creates more contact areas to enlarge the deformation and enhance the piezoelectric effect. The synergism between heterojunction and piezoelectric field greatly helps the separation of photoinduced carriers and enhances the catalytic performance. Benefited from the carrier separation, the 10%BTO/PTO composite exhibits a doubled efficiency than PTO. Furthermore, its photo-piezoelectric catalytic efficiency is 4.3 times that of photocatalysis and 2.8 times that of piezoelectric catalysis, proving the effectiveness of the synergism of piezoelectric effect and photocatalysis. This design provides a feasible avenue to modulate the behavior of carriers for efficient photocatalysis.

CAS / MDL: 547-58-0
研究领域: 材料科学 · 纳米技术 · 催化 · 固体物理
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ACS Applied Materials & Interfaces · 2018 · IF 8.097

Enhanced Performance of Perovskite Solar Cells by Using Ultrathin BaTiO3 Interface Modification

Jianqiang Qin,Zhenlong Zhang,Wenjia Shi,Yuefeng Liu,Huiping Gao,Yanli Mao

Efficiency promotion has been severely constrained by charge recombination in perovskite solar cells (PSCs). Interface modification has been proved to be an effective way to reduce the interfacial charge recombination. In this work, a mesoporous TiO2 (mp-TiO2) layer was modified by an ultrathin BaTiO3 layer to suppress charge recombination in PSCs. The ultrathin BaTiO3 modification layer was prepared by the spin coating method using a barium salt solution. The concentration of the barium salt solution was optimized, and the effect of the BaTiO3 modification layer on the performance of the cells was also investigated. The modification layer can not only successfully retard charge recombination but also effectively boost the rate of electron extraction at the interface, resulting in enhanced open-circuit voltage (Voc), short circuit current density (Jsc), and fill factor. Furthermore, the hysteresis of the PSCs was also significantly reduced after the modification. By optimizing and employing the BaTiO3 modification layer, the power conversion efficiency of the cells was increased from 16.13 to 17.87%.

研究领域: 材料科学 · 能源技术 · 光伏器件
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ACS Applied Materials & Interfaces · 2018 · IF 8.097

Insights into the Role of Ferroelectric Polarization in Piezocatalysis of Nanocrystalline BaTiO3

Jiang Wu,Qi Xu,Enzhu Lin,Baowei Yuan,Ni Qin,Santhosh Kumar Thatikonda,Dinghua Bao

Piezoelectric effect, commonly known as a change in electric polarization in piezoelectric/ferroelectric materials under mechanical stress, is extensively employed as a driving force for the catalytic degradation of organic pollutants. However, the relationship between electric polarization and piezocatalytic activity is still unclear. In this work, we investigated the role of ferroelectric polarization in the piezocatalytic activity of BaTiO3 nanoparticles through annealing BaTiO3 at different temperatures or poling BaTiO3 at different electric fields. The BaTiO3 nanoparticles annealed at 800 °C exhibit effectively enhanced piezocatalytic activity compared with those annealed at other temperatures. The polycrystalline particles annealed at higher temperatures exhibit a greatly reduced catalytic activity. After poling, the piezocatalytic activity of the polycrystalline BaTiO3 particles was obviously improved. In addition, we identified the free radical species and the intermediate products of the catalytic reaction. We also well-explained the dependence of electric polarization in the BaTiO3 piezocatalyst on annealing temperature and ultrasonic vibration theoretically. Our study indicates that increasing ferroelectric polarization (but not crystallite size) can effectively enhance the piezocatalytic activity. We believe that the present work provides a clear understanding of the role of ferroelectric polarization in piezocatalysis.

CAS / MDL: 12047-27-7
研究领域: 材料科学 · 环境催化
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Materials Science and Engineering B-Advanced Functional Solid-State Materials · 2017 · IF 2.552

Fabrication of BaTiO3/Ni composite particles and their electro-magneto responsive properties

Yaping Lu,Lingxiang Gao,Lijuan Wang,Zunyuan Xie,Meixiang Gao,Weiqiang Zhang

BaTiO 3 (BT)/Ni composite particles were made by one-step method through agglomerating the metal Ni(0) nanoparticles reduced by a specific reducing agent (N 2 H 4 ·H 2 O) on the surface of BT sphere with diameter of ∼500   nm. The BT/Ni composite particles were characterized by the means of scanning electron microscope (SEM), transmission electron microscopy (TEM), X-ray diffractometer (XRD) and X-ray photoelectron spectroscopy (XPS). In BT/Ni particles, pure BT spherical particle was coated with Ni nanoparticles agglomerated on its surface. The average thickness of the Ni sheath was ∼30   nm and the content of Ni(0) and Ni (II) in the sheath were 70.2% and 29.8%, respectively. The responsive effects of BT/Ni particles filled in hydrogel elastomer were investigated by the viscoelastic properties. The results indicate that the BT/Ni particles exhibit electro and magneto coordinated responsive properties (E   =   1   kV/mm, H   =   0.1   T/mm), which is superior to BT particles with individual electro response.

CAS / MDL: 9000-70-8
研究领域: 材料科学 · 物理化学
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JOURNAL OF ELECTRONIC MATERIALS · 2025 · IF 2.5

PMMA/PVDF-BaTiO3 Nanocomposite Films for Dielectric and Energy Storage Applications

Zhang Yue,Zhu Bixuan,He Yu,Guo Jiacheng,He Ruiqi,Cai Chuanyezi,Ye Lu,Li Hongwei,Zhang Jianjun,Ma Sude

Polyvinylidene fluoride (PVDF) is one of the most widely studied polymers for the development of film capacitors with high energy density. However, it is still challenging to modulate the polarization hysteresis phenomenon of PVDF in a simple and effective way to achieve a significant increase in energy density. In this work, a low-loss amorphous polymer poly(methyl methacrylate) (PMMA) was introduced as a reinforcing phase to be blended with PVDF to form a matrix. The dielectric and energy storage performance of PVDF is improved by integrating the high dielectric property of barium titanate (BaTiO 3 ) with the low hysteresis property of PMMA. PMMA/PVDF-BaTiO 3 nanocomposites were prepared by spin-coating process. It was shown that the PMMA/PVDF-BaTiO 3 nanocomposites had a thin and flat macroscopic structure and a uniform and dense microstructure. The optimum dielectric constant of the nanocomposites was 12.9 at 100 Hz, and the optimum energy density was maximized to 6.5 J/cm 3 . Compared with the PVDF/PMMA composites, the dielectric and energy storage performance were significantly improved under the same conditions. This work provides a simple and effective strategy for obtaining polymer nanocomposites with high energy density and with potential as flexible dielectric substrates for film capacitors.

CAS / MDL: 9011-14-7 24937-79-9
研究领域: 材料科学 · 能源存储
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SCRIPTA MATERIALIA · 2021 · IF 5.611

Fabrication of BaTiO3@FeO core-shell nanoceramics for dielectric capacitor applications

Hongye Wang,Minghe Cao,Tenglong Mao,Jiqing Fu,Wengao Pan,Hua Hao,Zhonghua Yao,Hanxing Liu

Nanoceramics have a wide application in dielectric field due to their excellent dielectric properties .However, it is extremely difficult to fabricate densified BaTiO 3 with nanometer scale crystalline. In this study, nanoscaleBaTiO 3 ceramics are successfully fabricated by deposition of a FeO layer onto BaTiO 3 nanoparticle , and the structure and dielectric behavior of the BaTiO 3 @FeO nanoceramics are systematically investigated. The multilayer structure including 1) an inner tetragonal core, 2) a gradient lattice strain layer and 3) a surface insulating layer makes the dielectric constant peak tend to be rounded and broadened. Consequently, an excellent temperature/frequency stability met the X7R requirements and accompanied by the low dielectric loss are achieved in the BaTiO 3 @FeO nanoceramics.

CAS / MDL: 12047-27-7 3094-87-9
研究领域: 材料科学 · 电子工程
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Mechanistic insights into chemical bonded BaTiO3/MoS2 dual piezoelectric heterojunction for Robust Piezo-Photocatalytic performance

Gaiying Han,Pei Wang,Xinxin Zhang,Zhaoyang Wang,Haitao Yu,Zhenzi Li,Ying Xie,Wei Zhou

To solve the limited active sites, high carrier recombination rate, and the photo-corrosion issues of layered MoS 2 , a novel chemically bonded BaTiO 3 /MoS 2 (BM-x, x  = 2, 5, 10, and 20) dual piezoelectric heterojunction was synthesized. Density functional theory (DFT) calculations combined with experimental characterizations revealed that chemical bonds are formed between the 3d orbitals of Ti in BaTiO 3 and the 3p orbitals of S in MoS 2 . These strong interactions enable BaTiO 3 to be firmly anchored on the surface of 2D MoS 2 sheets and thus enhance the structural stability of the catalyst. Furthermore, the intimate interfacial contact facilitates electron transfer from BaTiO 3 to MoS 2 , while the formed type-II heterostructure induces a built-in electric field that significantly improves the generation and separation of photogenerated charge carriers. Under the synergistic effect of ultrasonic vibration and light irradiation, the valence band maximum (VBM) and conduction band minimum (CBM) of the two phases become tilted, resulting in a significant increase in the planar potential difference between them and therefore enhancing the built-in electric field. Thus, the BM-10 sample achieves a high degradation rate and an excellent Cr(VI) removal efficiency. These findings provide new insights into the structural regulation and the optimization of catalytic activity for MoS 2 -based piezoelectric photocatalysts.

研究领域: 材料科学 · 催化化学
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ACS Applied Materials & Interfaces · 2018 · IF 8.097

Photothermally Enabled Pyro-Catalysis of a BaTiO3 Nanoparticle Composite Membrane at the Liquid/Air Interface

Mengdie Min,Yanming Liu,Chengyi Song,Dengwu Zhao,Xinyu Wang,Yiming Qiao,Rui Feng,Wei Hao,Peng Tao,Wen Shang,Jianbo Wu,Tao Deng

This paper reports the highly efficient pyroelectric nanomaterial-based catalytic degradation of waste dye under rapid temperature oscillation, which was achieved by periodical solar irradiation on a porous pyroelectric membrane that was floating at the liquid/air interface. Such a membrane consists of the light-to-heat conversion carbon black film as the top layer and the porous poly(vinylidene difluoride) (PVDF) film embedded with pyroelectric barium titanate (BaTiO3) nanoparticles (BTO NPs) as the bottom layer. By using an optical chopper, solar light can be modulated to periodically irradiate on the floating membrane. Because of the photothermal effect and low thermal conductivity of the PVDF polymer, the generated heat is localized at the surface of the membrane and substantially increases the surface temperature within a short period of time. When the solar light is blocked by the chopper, interfacial evaporation through the porous membrane along with convective air cooling and radiative cooling leads to heat dissipation, and then the temperature of the membrane is rapidly decreased. Such an efficient thermal cycle results in a substantial rate of temperature change of the membrane, which enhances its pyroelectric capability and subsequent pyro-catalysis. In contrast, the efficiency of pyro-catalysis through the dispersed BTO NP solution is about 4 times lower than that of the BTO composite membrane. With the large heat capacity of the aqueous solution and inevitable thermal loss because of bulk heating, the rate of temperature change of the BTO NP solution is much smaller than that of the BTO composite membrane and thus results in a relatively small pyro-catalytic capability. Furthermore, the reusability and transferability of this newly developed composite membrane make it amenable to practical use in treating contaminated water. The findings in our report not only offer a new design strategy for efficient solar-enabled pyro-catalysis but also pave a new way to rationally harvest solar–thermal energy in nature for various applications that involve pyroelectric materials.

CAS / MDL: 68-12-2 81-88-9 67-64-1
研究领域: 材料科学 · 环境科学 · 能源科学
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