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PROGRESS IN ORGANIC COATINGS · 2025 · IF 7.3

Charge transfer and thermal conduction mechanisms in superhydrophobic Gr-TiO₂ photothermal coatings for high-efficiency deicing

Yi Li,Hao Sun,Xinpeng Li,Baojun Lin,Hongyi Liu,Ce Liang

In response to the surface icing issues of infrastructure and industrial equipment in extreme low-temperature environments, this study overcomes the energy consumption and durability limitations of traditional anti-icing/de-icing technologies by developing a scalable photothermal-superhydrophobic dual-functional composite coating. The coating is constructed through a “surface-anchored assembly” strategy: graphene (Gr) with few layers is used as the photothermal conversion core, which is modified by polydopamine (PDA) and covalently bonded with octyltriethoxysilane (OTES)-modified titanium dioxide (TiO₂). This is then anchored onto a semi-cured epoxy resin matrix, achieving efficient enrichment and firm binding of functional particles on the surface. The resulting coating exhibits both broad-spectrum photothermal response and mechanically stable superhydrophobic properties (static contact angle >155°, − <5°), significantly enhancing anti-icing/de-icing performance. Density functional theory (DFT) calculations reveal the charge transfer mechanism driven by the work function difference (ΔΦ = 0.64 eV) at the Gr-TiO₂ interface, explaining the enhanced photothermal performance at the microscopic level. Moreover, the heat transfer mechanism during the anti-icing/de-icing process is analyzed through a thermal conduction model. This work provides an efficient, stable, and scalable solution for anti-icing/de-icing in extreme environments through a three-dimensional synergy of material design, process innovation, and mechanism analysis.

研究领域: 材料科学 · 表面工程 · 能源材料 · 纳米科技 · 物理化学
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Journal of Energy Storage · 2026 · IF 10.7

TiO₂-engineered polyurethane gel electrolyte enabling dendrite-free Na metal cycling and high-fidelity state estimation

Silun Luo,Juchen Li,Yuhan Li,Shaowei Zhang,Siyuan Liu,Chunming Xu,Rongzheng Ren,Wang Sun,Guang Pan,Chengyi Lu

Sodium-ion batteries (SIBs) are promising alternatives to lithium-ion batteries due to their low cost and abundant sodium resources; however, conventional liquid electrolytes suffer from safety issues and interfacial instability. Herein, a gel polymer electrolyte (TPU–TiO₂ GPE) was developed by incorporating 5 wt% TiO₂ nanoparticles into a thermoplastic polyurethane (TPU) matrix. The Lewis acidic centers of TiO₂ interact synergistically with polyurethane chain segments, reducing polymer crystallinity and enhancing chain mobility. As a result, the TPU–TiO₂ GPE exhibits higher room-temperature ionic conductivity (2.91 × 10 −4  S·cm −1 ) and tensile strength (32.7 MPa) than pristine TPU. Moreover, the TPU–TiO₂ GPE forms a stable and uniform solid–electrolyte interphase (SEI) on sodium metal, effectively suppressing dendrite growth. Na||Na symmetric cells demonstrate stable cycling for over 250 h at 0.2 mA·cm −2 , while Na||Na₃V₂(PO₄)₃ full cells retain 93.84% of their capacity after 280 cycles at 0.5C. The state of charge (SOC) of the full cells was estimated using a second-order RC equivalent circuit model combined with an extended Kalman filter (EKF). Compared with the pristine TPU system, the TPU–TiO₂ GPE exhibits smoother OCV–SOC characteristics and reduced polarization, leading to significantly improved SOC estimation accuracy. The voltage-model fitting RMSE is reduced from approximately 2.4 mV to 1.3 mV. This improvement enables more reliable SOC tracking across the entire SOC range. These results indicate that the TPU–TiO₂ GPE enhances both electrochemical performance and SOC predictability, providing a viable strategy for safe and intelligently managed sodium-ion batteries.

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NEW JOURNAL OF CHEMISTRY · 2026 · IF 2.6

Enhanced Catalytic Performance of Pd Catalysts Supported on N-Doped TiO₂ for Hydrogenolytic Debenzylation of HBIW

Qian Wang,Rubo Fang,Heng Yuan,Xinyi Zhang,Guilong Hu,Qunfeng Zhang

To address the high consumption and cost of noble metal catalysts during the production of hexanitrohexaazaisowurtzitane (HNIW, CL-20), nitrogen-doped titanium dioxide (TN) was synthesized using urea as a nitrogen source. PdO/TN catalysts were then fabricated via a deposition–precipitation route and applied to the continuous hydrogenolysis debenzylation of hexabenzylhexaazaisowurtzitane (HBIW). Characterization by XRD, TEM, Raman, XPS, and H₂-TPR revealed that nitrogen incorporation effectively promoted the generation of surface oxygen vacancies and strengthened metal–support interactions, thereby enhancing catalyst stability. Moreover, the oxygen vacancy concentration could be tuned by adjusting calcination conditions. The PdO/TN-400-2 catalyst, prepared at 400 °C for 2 h, exhibited the highest catalytic activity, with an oxygen vacancy fraction of 19.64%. Further decreasing the calcination severity increased defect density but did not yield additional performance gains. These findings demonstrate that nitrogen doping can regulate surface defect chemistry and metal–support coupling, offering a viable strategy for the design of efficient catalysts for hexabenzylhexaazaisowurtzitane (HBIW) debenzylation.

CAS / MDL: 1310-73-2
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CHEMISTRY-A EUROPEAN JOURNAL · 2019 ·Vol. 25 ·期 45 ·10642-10649 · IF 5.16

Dismutation of Titanium Sub-oxide into TiO and TiO2 with Structural Hierarchy Assisted by Ammonium Halides

Jiantao Huang,Jijian Xu,Xiangli Che,Chong Huang

Graphical Clash of titanium oxide : A novel composite structure of TiO 2− x with conductive TiO layer is synthesized in one step by an unforeseen dismutation reaction and performs full-spectrum absorption. Black TiO 2− x attracts enormous attention due to its large solar absorption and improved conductivity. In this work, a novel structure of TiO 2− x with conductive TiO layer, performing full-spectrum absorption, was synthesized in one step by the unforeseen dismutation reaction of titanium sub-oxides (Ti n O 2 n −1 ) in ammonium halide atmosphere. For this new reaction, a possible mechanism of decomposition-etching-disproportionation-rehydrolysis process was proposed. The vital intermediate reactant TiCl 4 , which verifies the assumption, has been captured in the form of (NH 4 ) 2 TiCl 6 , especially where Ti 2 O 3 is the reactant. Furthermore, this work not only can nominate TiO as an alternative for noble metals or carbon materials in the aim to improve the electron conductivity and solar absorption of black TiO 2− x , which are important in electrochemistry and optoelectronics fields, but also can be a new route to synthesize special structures for other multivalent transition metals.

CAS / MDL: 12125-02-9
研究领域: 材料科学 · 化学工程 · 光电领域
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RSC Advances · 2025 ·Vol. 15 ·期 35 ·28659-28665 · IF 4.6

Enhanced catalytic performance of transition metal-doped Co/TiO2 for continuous-flow synthesis of borneol from isoborneol

Chenyang Li,Zhihan Liu,Huimin Li,Yunsen Xiao,Ying Huang,Yuting Lin,Jie Liu,Bin Wu,Fuweng Zhang,Huidong Zheng,Longfei Yan

Borneol, a pharmaceutically important monoterpenoid, has emerged as a key ingredient in modern medicinal formulations. Here, we report a highly efficient heterogeneous catalytic system using transition metal-doped Co/TiO2 catalysts for the continuous-flow isomerization of isoborneol to borneol. Through systematic screening of bimetallic combinations, we demonstrate that Cu and Ni dopants synergistically enhance the redox properties of Co species, particularly improving hydrogenation–dehydrogenation efficiency in the isomerization of isoborneol. The optimized 1Cu–3Co/TiO2 catalyst (Cu : Co = 1 : 3 mass ratio) enabled a two-stage continuous-flow system, achieving 58% molar yield of borneol with <0.4% camphor byproduct formation after solvent removal. Remarkably, the catalyst maintained >99% metal retention during a total of 200 h of continuous reaction. This work not only provides fundamental insights into promoter effects in bimetallic catalysis but also establishes a commercially viable platform for continuous production of high-purity botanical therapeutics.

研究领域: 催化化学 · 化学合成 · 药物化学 · 材料科学 · 反应工程
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DYES AND PIGMENTS · 2025 · IF 4.2

Optimizing dye anchoring efficiency: The critical role of esterification catalysts in carboxyl dye-sensitized TiO2 photocatalyst preparation

Zhenchao Gu,Yufei Hu,Yu Sun,Ying Yu,Zhou Li,Lirong Chen

Dye sensitization, as an effective method to modify the optical properties of TiO 2 , has wide applications in photocatalysis and solar cells. Carboxy-functionalized dyes can form stable ester bonds on the TiO 2 surface, which facilitates the transfer of photogenerated electrons. Therefore, the addition of esterification reaction catalysts inevitably influences the sensitization process. This study systematically investigates the catalytic effects of acid catalysts, basic reagents and organocatalysts on carboxy-functionalized dye-sensitized TiO 2 composites, with a focus on their photocatalytic performance and underlying mechanisms. The infrared spectroscopy characterization results confirmed the successful anchoring of the dye on the TiO 2 surface and the formation of ester bonds. Unlike the inhibition of esterification reactions by base reagents, both acid catalysts and organocatalysts led to higher esterification degrees in the dye-TiO 2 system. UV–Vis spectra showed that the dye-TiO 2 systems catalyzed by different catalysts exhibited distinct visible-light absorption compared with pure TiO 2 . Notably, dye-TiO 2 (HNO 3 ) and dye-TiO 2 (EDC-DMAP) demonstrated the optimal visible-light absorption in the acid-catalyzed and organic-catalyzed systems, respectively. EIS confirmed that both acid and organic catalysis resulted in lower interfacial impedance in the dye-TiO 2 system, implying superior charge transfer efficiency and photocatalytic activity. Photocatalytic experiments were also conducted to verify the aforementioned characteristics. Compared with dye-TiO 2 , dye-TiO 2 system catalyzed by acid catalysts exhibited the best photocatalytic performance. The photocatalytic efficiency of dye-TiO 2 system catalyzed by organocatalysts had also been improved. In contrast, the dye-TiO 2 system involving basic reagents showed lower photocatalytic performance than the uncatalyzed dye-TiO 2 system.

研究领域: 材料化学 · 光催化 · 表面化学 · 纳米材料 · 能源材料 · 环境催化
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CHEMICAL PHYSICS LETTERS · 2025 · IF 3.1

MOF derived Ag₂S/ZnIn₂S₄@TiO₂@carbon composite with enhanced photocatalytic performance for degradation of tetracycline

Ye Zhang,Xiaobing Yang

Recently, the overuse of tetracycline (TC) has caused persistent adverse effects on both ecological environment and human health. It needs to develop effective methods for removing TC from water. Herein, Ag 2 S/ZnIn 2 S 4 @TiO 2 @carbon was successfully synthesized and used as catalyst for degradation of TC. The influence of Ag 2 S and ZnIn 2 S 4 on the photocatalytic activity of TiO 2 @carbon were investigated. The results show that the Ag 2 S/ZnIn 2 S 4 @TiO 2 @carbon achieved a photocatalytic degradation efficiency of 98.73 %. Moreover, the photocatalytic activity of Ag 2 S/ZnIn 2 S 4 @TiO 2 @carbon remained nearly unchanged after four consecutive cycles, with only a 3.2 % decrease in degradation efficiency. Finally, the degradation mechanism of TC over Ag 2 S/ZnIn 2 S 4 @TiO 2 @carbon was elucidated.

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FOOD CHEMISTRY · 2026 · IF 10.4

Innovative composite modification of soybean protein films for nano-TiO₂ migration control and enhanced rapeseed oil storage

Shufang Kang,Teng zhang,Mengying Wu,Guangzhong Luan,Yong Han

Nano-TiO₂ is evenly distributed in protein films modified by CP and TGase. • Protein films with nano-TiO₂ showed improved hydrophobicity and barrier properties. • Nano-TiO₂ enhanced the thermal stability of soybean protein films. • Nano-TiO₂ modified protein films enhanced rapeseed oil storage and shelf life. • Composite modification of protein films reduced nano-TiO₂ migration in packaging. This study investigates the development of functional packaging films by incorporating nano-TiO₂ into SPI and 7S/11S composite proteins. Cold plasma (CP) treatment and CP combined with transglutaminase (TGase) modification were applied to enhance film properties and reduce nanoparticle migration. These protein-based films were tested for packaging rapeseed oil. The results showed that the interaction between TiO₂ and proteins was primarily physical and non-covalent. Incorporating TiO₂ reduced protein film solubility by over 15%, decreased water vapor permeability by up to 22.43%, and improved tensile strength and thermal stability at high temperatures. These effects were more pronounced in films treated with CP and CP-TGase. Furthermore, quality tests on the packaged rapeseed oil demonstrated that films treated with CP and CP-TGase delayed oil deterioration. The combination of CP and TGase also helped limit the migration of nano-TiO₂, which is crucial for mitigating the potential hazards of metal nanoparticles in functional food packaging. Download: Download high-res image (205KB) Download: Download full-size image

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Materials Today Communications · 2025 · IF 4.5

The impact of TiO₂ particle and porous structure on UV resistance application for wet-spinning PVDF fiber

Huilian Qiao,Maoqi Wu,Meitung Poon,Jianqiao Hu,Zeyu Jiang,Hui Yu,John H. Xin,Lihuan Wang

The ultraviolet (UV) resistance refers to the ability of materials to block, absorb, or reflect UV rays. Traditional fiber modification and fabric post-treatment techniques for UV resistance enhancement mainly focus on increasing the UV absorption rate or scattering effect, but there is still significant room for improvement. In this work, we prepared two types of Poly(vinylidene fluoride) (PVDF) fibers through the wet-spinning process: PVDF fibers with a single porous structure and PVDF fibers with added titanium dioxide (TiO₂) particle (exhibiting high UV absorption) (PVDF/TiO₂ fibers). Through the former, we explored the influence of changes in the internal porous structure of the fibers on their UV resistance. And contrast the effects and possible mechanisms of these two fibers regarding UV Resistance. We employed characterization techniques such as SEM, XPS, XRD, and Ultraviolet-Visible-Near Infrared (UV-VIS-NIR) Spectrophotometer. The experimental results show that the average UV transmittance of the two types of fibers is remarkably low(<0.3%). Analysis indicates that they achieve excellent UV resistance via different mechanisms. The porous PVDF fibers possess excellent average UV reflectivity (>80%), while the PVDF/TiO₂ fibers show exceptional UV absorptivity (>82%). There are differences in the effects and applications of UV resistance based on the principles of reflection or absorption. Consequently, the two types of fibers can be applied in diverse scenarios. Moreover, given the large - scale production characteristics of wet - spinning, these fibers hold promising market prospects.

CAS / MDL: 127-19-5
研究领域: 材料科学 · 高分子化学
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Journal of Environmental Health Science and Engineering · 2025 ·Vol. 23 ·期 2 ·40 · IF 2.8

TiO₂-modified activated carbon for pharmaceutical contaminant removal: experimental and in-silico insights using density functional theory

Suanon Fidèle,Kanhounnon Wilfried G.,Hounfodji Jean Wilfried,Kiki Claude,Zeng Qiaoting,Kpotin Gaston,Yete Pelagie,Tometin Lyde Arsène Sewedo,Atohoun Yacolé Guy Sylvain,Yu Chang-Ping,Mama Daouda,Qian Sun

Mitigating the pollution of water by emerging contaminants (ECs) presents a critical environmental challenge that demands innovative, effective, cost-efficient, and sustainable strategies. In this study, the potential of TiO₂-modified activated carbon (AC) for the sequestration of ECs from water was evaluated through a combined experimental and in silico approach, using molecular modeling based on density functional theory (DFT). Unmodified AC removed 67.76–82.09% of ECs such as carbamazepine, flumequine, clarithromycin, azithromycin, and roxithromycin, and 44.54–52.27% of sulfamerazine, sulfamethoxazole, sulfamonomethoxine, trimethoprim, and levofloxacin. Incorporating TiO₂ and utilizing sunlight improved removal efficiencies to 93.09–99.91%. The hydrophobicity of contaminants significantly influenced adsorption. Kinetic and isotherm analyses indicated chemical interaction-driven, monolayer adsorption, with the Langmuir model fitting best (R² = 0.9856–0.9975). Textural analysis of TiO₂–AC (10% TiO₂) revealed a surface area of 557.72 m²·g⁻¹ and a pore volume of 0.317 cm³·g⁻¹, supporting its high adsorption potential. Fourier transform infrared spectroscopy and molecular modeling identified functional groups facilitating adsorption, while DFT provided insights into energetic and non-covalent interactions (NC-interaction) including hydrogen bonding, van der Waals forces (VDW-forces), and charge transfer that occur during the process. TiO₂-modified AC demonstrates high efficiency for pharmaceutical removal from water, highlighting great promise as a sustainable and advanced adsorbent material, offering practical solutions for tackling diverse water pollution challenges.

CAS / MDL: 13463-67-7
研究领域: 环境科学 · 材料科学 · 水污染控制 · 计算化学 · 吸附技术
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PROGRESS IN ORGANIC COATINGS · 2026 · IF 7.9

Triple-synergistic BNNSs@PDA/ODA/TiO₂-reinforced silicone-epoxy coatings with enhanced mechanical robustness and marine corrosion protection

Shuai Su,Hanzati Abulikemu,Rongcao Yu,Shengnan Hu,Fengyuan Shu,Bing Lei,Xin Yuan

Superhydrophobic nanofiller-modified organic coatings are widely used for metal corrosion protection but face critical bottlenecks: poor interfacial compatibility with resin matrices, insufficient hydrophobic durability under harsh conditions, and a trade-off between hydrophobicity and mechanical strength. To address these issues, this study developed a triple-synergistic modification strategy to synthesize a novel superhydrophobic filler (BNNSs@PDA/ODA/TiO₂) for reinforcing silicone epoxy (SE) coatings. Polydopamine (PDA) acts as a bionic bridge for multi-point anchoring, octadecylamine (ODA) forms a 3D hydrophobic network, and titanium dioxide (TiO₂) enables micropore filling and enhanced crosslinking. The BNNSs@PDA/ODA/TiO₂-SE composite coating exhibits significantly improved mechanical properties, including enhanced storage modulus, glass transition temperature, and crosslinking density, with interfacial chemical bonding being the dominant driver for performance enhancement. In simulated marine environments, the composite coating shows excellent long-term corrosion resistance, maintaining strong protective capability after prolonged immersion and effectively inhibiting corrosion at scratch sites. A coupled “diffusion-electrochemical reaction” model verifies that the superhydrophobic labyrinth effect and interfacial bonding synergistically inhibit corrosion mechanisms. This work provides a scalable design strategy for high-performance composite coatings integrating mechanical robustness and long-term corrosion protection, addressing the practical demand for durable coatings in harsh environments such as marine engineering and shipbuilding.

CAS / MDL: 124-30-1 77-86-1
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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Boost the formation of active species in the constrained-geometry catalyst by the intermolecular TiO non-covalent interactions

Xinpeng Zhang,Xiaokai Cheng,Chuanding Dong,Yuming Chen,Wei Li,Bolong Peng,Gan Tao,Guoxing Nai,Jingdai Wang,Yongrong Yang

Intermolecular Ti O non-covalent interactions regulate CGC polymerization behavior. • POSS forms a Ti-O-Si-Cl ring, enhancing activity. • D3 promotes ligand rearrangement and 1-octene incorporation. • Non-covalent Ti O modification enables tailored POE microstructures. When metallocene catalysts are modified by changing the chemical structures of their ligands and bridges, the intrinsic coupling of electronic and steric effects leads to performance trade-offs, making it challenging to simultaneously optimize catalytic activity, thermal stability, and comonomer incorporation capability. Herein, we present an intermolecular non-covalent interaction strategy for regulating the polymerization behavior of constrained-geometry catalysts (CGCs). By physically blending CGC with siloxanes featuring distinct spatial architectures, namely cage-like polyhedral oligomeric silsesquioxane (POSS) and cyclic hexamethylcyclotrisiloxane (D3), two catalytic systems with similar chemical compositions but markedly different polymerization behaviors and product chain microstructures were constructed. The CGC/POSS system exhibits an increase in catalytic activity, whereas the CGC/D3 system significantly enhances 1-octene incorporation in the resulting copolymer. Comprehensive characterizations, including XPS, EXAFS, UV–vis, and EPR spectroscopy, elucidate the Ti O non-covalent interaction mechanism and the evolution of active centers during catalyst activation. POSS and D3 both induce structural distortion of the CGC molecule through Ti O non-covalent interactions, but they impose distinct electronic effects on the Ti active center. This work provides a facile intermolecular non-covalent modification strategy for polyolefin catalysis, enabling enhanced catalytic performance of CGC catalysts and effective control over POE chain microstructure. Download: Download high-res image (48KB) Download: Download full-size image

CAS / MDL: 1109-15-5
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