CRYSTENGCOMM
·
2023
·Vol. 25
·期 28
·4039-4047
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IF 3.1
Guoliang Feng,Jintao Gao,Xi Lan,Yu Li,Zhancheng Guo
Vanadium (V) is often transferred into vanadium slag from the smelting of vanadium titano-magnetite ore, however, basic data for the crystallization behavior and crystal structure of V-spinel are lacking, which limits the efficient recovery of V resources from vanadium slag. In this study, the crystallization behavior of V-spinel in vanadium slag was investigated, and in situ separation of high-purity V-spinel crystals from vanadium slag was conducted via super-gravity at 1673 K. It was found that TiO2 content of 12 wt% in vanadium slag was the most conducive to the crystallization of V-spinel. On this basis, the crystal structures of various V-spinel crystals were characterized, by which the displacement mechanism of V and Ti in V-spinel was verified. Namely, V3+ in the octahedron sites was gradually replaced by Ti4+ with the increase of Ti content, while an equal amount of Fe3+ in the tetrahedron sites was replaced by Fe2+. This study provides some necessary theoretical basis for the efficient recovery of V resources in vanadium slag.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2025
·
IF 9.7
Guo Liu,Shuhao Tian,Chang Li,Yizhi Li,Zhiming Deng,Zhijun Zou,Jiayou Tao,Kun Tao,Hongcen Yang,Xiaoxiang Sun,Fen Li,Erqing Xie,Zhenxing Zhang
Catalytic conversion of polysulfides is regarded as a crucial approach to overcome the chronic challenges from polysulfides shuttling and sluggish redox kinetics. Heterostructure catalysts can synergistically combine the advantages of each component with an interfacial built-in electric field (BIEF), demonstrating outstanding adsorption and catalytic effects. However, the relationship between surface electronic structure and interfacial charge redistribution remains unclear. Here, surface-oxidized MXene/α-Fe 2 O 3 (MXTiO/α-Fe 2 O 3 ) heterostructure is developed as model catalyst to clarify the enhancement mechanism of polysulfides adsorption and conversion. Theoretical and experimental analysis confirms that the modified MXene as an electron acceptor steals partial electrons from α-Fe 2 O 3 through interfacial asymmetric Ti-O-Fe bridge bonds, inducing the spontaneous charge redistribution. The electrons transfer through Ti-O-Fe channels creates electron-deficient Fe sites on the surface, which not only reduces the antibonding orbital electron occupation, leading to strengthening the d -p orbital hybridization between surface Fe and polysulfides, providing a strong sulfur affinity, but also weakens S S bonds for accelerated cleavage. The resulting catalyst enables Li-S batteries with a capacity of 538 mAh g −1 at 5.0C. This investigation establishes a fundamental correlation between interfacial electron delocalization and surface electronic configuration modulation, thereby providing a rational insight for designing advanced heterostructured electrocatalysts in high-performance energy storage/conversion applications.
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CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Rongchang Ren,Yaning Fu,Mengyao Huang,Zhongjun Li,Youcai Lu,Qingchao Liu
Rare-earth element doping-induced d orbital reconstruction of transition metals emerges as a critical mechanism to overcome the bottleneck of bifunctional catalytic activity in lithium-oxygen (Li O 2 ) batteries. By implementing a cerium doping defect engineering strategy, this study constructs [Ce C Ti] triatomic bridged active centers on MXene surfaces and systematically unravels the cross-scale regulation mechanism governing electronic structure deposition morphology electrochemical performance in MXene-based catalysts. Combined theoretical calculations and experimental characterizations demonstrate that the interfacial charge gradient field enables directional control of Li 2 O 2 epitaxial growth orientation, thereby inducing hierarchical porous structures while synergistically optimizing oxygen species adsorption/desorption kinetics. The [Ce C Ti] bonding disrupts inert electron chains and initiates electronic reconstruction effects, which significantly reduce reaction energy barriers through decoupling of O O bond orbital coupling strength, ultimately achieving self-consistent enhancement of oxygen reduction/evolution reaction activities. This work not only confirms the unique advantage of rare-earth element doping in modulating d orbital electron occupancy of transition metals but also elucidates the interfacial electron-lattice synergy in regulating oxygen electrode reaction pathways.
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2025
·
IF 6.3
Wenshuang Ma,Tao Deng,Lingling Ma,Youbing Li,Tian Xia
Plastic-metal hybrid (PMH) provides a new direction for aerospace and automotive rail transit fields to achieve lightweight. Hot pressing has broad application prospects in plastic/metal hybrids. Before the realization of TC4(Ti-6Al-4V)/PA66(Nylon 66) hybrid by hot pressing, different porous microstructures were prepared on the surface of TC4 by controlling the micro-arc oxidation (MAO) voltage (220 V, 240 V, 260 V, 280 V). Effect of different porous ceramic structures on the hybrid interface. Research shows that the microscopic porous ceramic structure on the surface of TC4 can enhance the surface wettability and wear resistance of TC4. Promote the embedding of PA66 into the TC4 surface to achieve mechanical interlocking. Different microstructures have different effects on bonding strength and failure modes. Especially at 240 V, the interface maximum bonding strength is 11.56 Mpa, and the interface failure mode is a mixed failure caused by plastic cohesion failure and plastic pull-out. In addition, XPS detection generates new chemical bonds, such as Ti-O and -C-Ti-O, at the hybrid interface. Compound reinforcement of mechanical interlocking and chemical bonding is achieved at the interface. In conclusion, these results are crucial for further designing and optimizing plastic-metal hybrids prepared using micro-arc oxidation.
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Journal of Materials Chemistry B
·
2022
·Vol. 10
·期 41
·8535-8548
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IF 7.571
Jiaxin Wu,Shaokang Jiang,Wenjia Xie,Yiyuan Xue,Mingxin Qiao,Xiangjun Yang,Xin Zhang,Qianbing Wan,Jian Wang,Junyu Chen,Xibo Pei
Biocompatibility and osteointegration of implants are highly desired in orthopedic and dentistry applications. The synthesis of a coating with ideal biocompatibility and osteogenic effect carries practical significance for improving the bio-inertness of pure Ti implants. Metal–organic frameworks (MOFs) are effective surface modification agents in bone regeneration applications. Bio-MOF-1, a classic type of biofriendly MOF with a bio-derived constitution, possesses biocompatibility and osteogenic potential resulting from its Zn core and adenine ligand. In this study, bio-MOF-1 coatings at multiple concentrations were synthesized on alkali-heat treated Ti, and their cytocompatibility and osteogenic properties were systematically examined both in vitro and in vivo. Coatings were characterized to confirm the successful synthesis of bio-MOF-1 coatings. These coatings exhibited advanced thermostability, excellent biocompatibility, and stable Zn2+ release, which up-regulated the expression of osteogenesis-related genes and proteins. Furthermore, bio-MOF-1 coating of Ti implants enhanced early osseointegration at the bone–implant interface. This study demonstrates the promising potential of bio-MOF-1 coatings with the osteogenic effect for surface modification in bone tissue engineering.
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ADVANCED POWDER TECHNOLOGY
·
2020
·
IF 4.217
Mingyi Zhang,Zenan Lin,Qingming Huang,Yadong Zhu,Hui Hu,Xiaohui Chen
In this research, a novel green mechanochemical dry gel conversion method (MDGC) is reported to obtain submicron-sized Ti-rich MWW zeolite. First, titanium and silica sources were milled under milder conditions in a planetary ball mill to construct the uniform SiO 2 -TiO 2 composite powders with higher Ti contents. Subsequently, submicron-sized Ti-rich MWW zeolite powder was prepared via dry gel conversion (DGC) route using the obtained composite under mixed steam environment consisting of water and piperidine. The physicochemical properties of the SiO 2 -TiO 2 composites before and after calcination and corresponding Ti-MWW-MDGC were investigated by XRD, UV–Vis, FT-IR, SEM, XRF, and N 2 absorption-desorption. Moreover, Ti-MWW (30)-MDGC exhibited a superior catalytic activity during epoxidation with H 2 O 2 compared with the traditional DGC method, and the conversion of 1-hexene increased from 4.2% to 26.3%. The MDGC method is a promising approach for the green production of various zeolites with higher heteroatom contents, such as TS-1, Ti-Beta and Sn-MWW, etc.
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Journal of Materials Chemistry A
·
2016
·Vol. 4
·期 42
·16661-16669
·
IF 8.262
Shuo Li,Qidong Zhao,Dedong Meng,Dejun Wang,Tengfeng Xie
Cocatalysts are one essential factor for promoting the photoelectrochemical water oxidation efficiency of photoanodes, but the influence of interface charge transfer between the semiconductor and cocatalyst has been rarely addressed. Due to their poor charge conductivity, the application of many metal oxides as cocatalysts has been limited. In this work, using photoanode Ti/Fe2O3 and cocatalyst CoOx as a model system, we elaborately design a charge transfer channel of metal Co between the photoanode and cocatalyst. Such a ternary nanostructure has proved to possess several advantageous features, including effective charge separation efficiency, long lifetime of photogenerated holes, and fast charge transport from the photoanode to the surface of the cocatalyst. Benefiting from these desirable nanostructures, the photoanode, containing a charge transfer channel of metal Co, exhibited a remarkable photoelectrochemical performance for water oxidation, with an almost 7-fold enhancement in the photocurrent density at 1.23 V vs. RHE under visible light illumination and about a 0.15 V water oxidation onset potential negative shift compared to the Ti/Fe2O3 photoanode. These findings demonstrate that the successful construction of a metallic charge transfer channel between the photoanode and cocatalyst should be employed as a general strategy for photoconversion applications.
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ChemSusChem
·
2018
·Vol. 11
·期 19
·3486-3494
·
IF 7.411
Qijing Bu,Shuo Li,Qiannan Wu,Lingling Bi,Yanhong Lin,Dejun Wang,Xiaoxin Zou,Tengfeng Xie
Semiconductor electrodes integrated with cocatalysts are key components of photoelectrochemistry (PEC)-based solar-energy conversion. However, efforts to optimize the PEC device have been limited by an inadequate understanding of the interface interactions between the semiconductor–cocatalyst (sem|cat) and cocatalyst–electrolyte (cat|ele) interface. In our work, we used ferrihydrite (Fh)-modified Ti–Fe 2 O 3 as a model to explore the transfer process of photogenerated charge carriers between the Ti–Fe 2 O 3 –Fh (Ti–Fe 2 O 3 |Fh) interface and Fh-electrolyte (Fh|ele) interface. The results demonstrate that the biphasic structure (Fh/Ti–Fe 2 O 3 ) possesses the advantage that the minority hole transfer from Ti–Fe 2 O 3 to Fh is driven by the interfacial electric field at the Ti–Fe 2 O 3 |Fh interface; meanwhile, the holes reached at the surface of Fh can rapidly inject into the electrolyte across the Fh|ele interface. As a benefit from the improved charge transfer at the Ti–Fe 2 O 3 |Fh and Fh|ele interface, the photocurrent density obtained by Fh/Ti–Fe 2 O 3 can reach 2.32 mA cm −2 at 1.23 V versus RHE, which is three times higher than that of Ti–Fe 2 O 3 . Graphical Water splitting : The excellent performance of ferrihydrite (Fh)/Ti–Fe 2 O 3 is attributed to the unhindered charge transfer at the Ti–Fe 2 O 3 |Fh and Fh|electrolyte interfaces. As a benefit from this improved charge transfer, the photocurrent density obtained by Fh/Ti–Fe 2 O 3 can reach 2.32 mA cm −2 at 1.23 V versus the reversible hydrogen electrode, which is three times higher than that of Ti–Fe 2 O 3 .
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Frontiers in Bioengineering and Biotechnology
·
2026
·
IF 5.8
Yuan Fan,Haiyan Yao,Junchao Wei,Yipeng Hu
Titanium (Ti) implants are widely used in bone defect repair, however, postoperative infections and insufficient osseointegration would lead to implant failure. Therefore, it is much critical and necessary to construct antibacterial and osteogenic coatings on the surface of Ti implants to improve the successful rate of operation. Herein, D-penicillamine stabilized chiral ZnO nanoparticles (D-ZnO NPs) were prepared, which were loaded on the surface of Ti implants together with BMP-2 to construct a dual functional coating with antibacterial and osteogenic properties. The in vitro results demonstrated that the coating showed excellent antibacterial ability, and the antibacterial rates against S. mutans , E. coli and S. aureus were 86%, 98%, and 76%, respectively. Additionally, the coating could effectively induce macrophage polarization towards M2 phenotype, which modulated the local immune microenvironment. Furthermore, the introduction of bone morphogenetic protein-2 (BMP-2) promoted osteogenesis, which may enhance the osseointegration of Ti implants. This study provides a novel strategy to address the challenges of Ti implants, and offer the solid theoretical foundation for expanding the clinical applications of multifunctional Ti implants materials.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2026
·
IF 9.6
Guoxu Ni,Runye Hu,Qikai Wang,Wenwen Shi,Qiuhong Cui,Jun Yan
HF-free synthesis of FeSe₂@S-Ti₂C via Lewis acidic molten-salt etching. • Simultaneous Ti₂C termination, etching, and FeSe₂ anchoring in one step. • Strong interfacial coupling endows Ti₂C/FeSe₂ with metallic conductivity. • Ti₂C/FeSe₂ delivers high capacity, long life, and high rate for SIBs. • Synergistic Na-storage mechanism of FeSe₂@S-Ti₂C revealed by DFT and in situ EIS/DRT analyses. The development of high-performance anode materials is critical for advancing sodium-ion batteries (SIBs) toward practical applications. Herein, we report a novel FeSe 2 @S-Ti 2 C heterostructure synthesized via a safe and straightforward Lewis acidic molten salt etching strategy followed by in-situ selenization. This approach enables simultaneous etching of Ti 2 AlC MAX phase, surface termination with sulfur-containing groups, and uniform anchoring of FeSe 2 nanoparticles within the Ti 2 C MXene matrix, eliminating the need for hazardous HF or post-synthesis metal removal. The resulting heterostructure integrates multiple advantageous features: The highly conductive Ti₂C MXene framework accelerates the transport of Na + , while its structural robustness effectively accommodates the volume expansion caused by Na + deintercalation. S-containing surface terminations provide additional active sites that enhance Na + adsorption. Ultimately, the FeSe₂@S-Ti₂C anode demonstrates exceptional sodium-storage performance, characterized by a high reversible capacity of 397.6 mAh g −1 after 350 cycles at 1 A g −1 , superior rate capability (227.8 mAh g −1 at 5 A g −1 ), as well as robust full-cell performance with an initial Coulombic efficiency of 91.2% and a reversible capacity of 493.6 mAh g −1 following 500 cycles at 1 A g −1 . Density functional theory calculations further elucidate the underlying mechanism, revealing metallic conductivity, reduced Na + diffusion barrier (0.30 eV), and enhanced Na adsorption energy (−2.43 eV) in the heterostructure. This work presents a versatile and scalable strategy for constructing advanced MXene-based heterostructures, offering promising avenues for high-performance SIB anodes. Description : Lewis acidic molten salt etching enables one-pot synthesis of FeSe₂@S–Ti₂C heterostructures; the conductive MXene framework with S-terminations and interfacial coupling deliver fast Na + diffusion and robust sodium storage. Download: Download high-res image (203KB) Download: Download full-size image
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APPLIED CATALYSIS B-ENVIRONMENTAL
·
2026
·
IF 19.7
Youheng Yao,Gaoxu Han,Yixuan Yao,Chuanjin Wang,Junshu Wu,Wenyuan Zhou,Yongli Li,Jinshu Wang
A TiCl 3 -based route enables H insertion and dispersed Ti sites on WO 3 photoanode. • Dispersed Ti sites favor secondary-hydroxyl activation and DHA formation. • H insertion suppresses free •OH species and mitigates DHA overoxidation. • (H,Ti)/WO 3 achieves 71.9% DHA selectivity and 264.5 mmol m −2 h −1 productivity. Selective photoelectrochemical oxidation of glycerol to dihydroxyacetone (DHA) offers a compelling strategy for integrating solar energy conversion with biomass valorization. However, efficient DHA accumulation remains challenging because two key issues are often underemphasized: the atomic level control of glycerol adsorption geometry for secondary-hydroxyl oxidation, and the suppression of radical mediated overoxidation of the formed DHA. Herein, we report a H, Ti-dual-modified WO 3 photoanode (H,Ti)/WO 3 that enables highly selective glycerol oxidation to DHA via cooperative interfacial pathway regulation. The (H,Ti)/WO 3 photoanode achieves a DHA selectivity of 71.9%—a sharp rise from 35.7% for WO 3 , and a DHA production rate of 264.5 mmol m −2 h −1 , roughly 5 times that of the unmodified counterpart. Mechanistically, highly dispersed Ti sites enhance adsorption of the secondary hydroxyl group of glycerol, directing the pathway toward DHA via two‑electron transfer. H‑insertion, in contrast, shifting hydroxyl chemistry away from free •OH mediated deep oxidation toward more surface-bound hydroxyl species and thereby suppressing DHA overoxidation. With this dual-pronged strategy, our work provides new insights into the selective formation and stable accumulation of DHA in biomass photoelectrochemical systems. Download: Download high-res image (146KB) Download: Download full-size image
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Journal of Environmental Sciences
·
2026
·
IF 6.5
Xiaoxia Liang,Zewan Qin,Siwei Zhang,Rong Hai,Lingqing Gu,Xia Yang
30CNQDs@NMT/PMS achieved almost complete degradation of malathion within 30 min simulated sunlight irradiation. • CNQDs was integrated successfully to promote the charge separation efficiency as electron bridges and enhance the adsorption energy of PMS for activation revealed by DFT. • •OH and •SO 4 – were generated to attack the identified sites of malathion computed via Fukui function. • The intermediate products in the photocatalytic process were less toxic than malathion assessed by T.E.S.T. Malathion, an organophosphate pesticide widely used in agricultural fields across the world, has raised environmental concerns due to its persistence and toxicity. Thus, a novel photocatalyst was synthesized by integrating carbon nitrogen quantum dots (CNQDs) onto NH 2 -MIL-125(Ti) (NMT) via a solid-phase thermal polycondensation method. It was demonstrated that CNQDs served a dual function as electron bridges to facilitate charge separation and as peroxymonosulfate (PMS) adsorption activation sites substantially enhancing the photocatalytic activity, which was revealed by Density Functional Theory (DFT). Under simulated sunlight, 30CNQDs@NMT achieved nearly 100 % malathion removal within 30 min via PMS activation, exhibiting 8.1 times higher than NMT. While •OH and •SO 4 – acted as the dominant reactive species to attack the malathion sites. The toxicity of the intermediate products assessed by T.E.S.T. (Toxicity Estimation Software Tool) were much lower than malathion. Moreover, 30CNQDs@NMT performed effectively in real water matrices, demonstrating its potential for practical environmental applications. Download: Download high-res image (233KB) Download: Download full-size image
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