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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2024 · IF 9.4

Designed 2D/2D F-doped TiO2@ZnIn2S4 heterojunction for efficient photo-utilization hydrogen generation

Shumail Farhan,Asif Hassan Raza,Long Li,Songyu Yang,Yan Wu

Comprehending the catalytic reaction implementation for heterostructure photocatalysts is crucial by scrutinizing the spatial separation and transfer process of photoexcited charges at nanoscale junctions. Herein, we fabricated the F-doped TiO 2 /ZnIn 2 S 4 -based S-scheme heterostructure using a direct liquid-assembly method. The optimum hydrogen evolution rate (HER) of ∼ 1.58 mmol g –1 h –1 was acquired for 30-F 3 T@ZIS, which was about 15 and 2 times superior to the pristine F-doped TiO 2 and ZnIn 2 S 4 , respectively. The interaction between F-doped TiO 2 and ZnIn 2 S 4 facilitated the charge transfer from ZIS to F 3 T which was confirmed through XPS. UV–vis spectroscopy and Mott–Schottky validated that F-doped TiO 2 and ZnIn 2 S 4 retain the suitable energy band alignment for the S-scheme heterostructure. In situ, KPFM and EPR analysis revealed that F-doped TiO 2 and ZnIn 2 S 4 possess a spontaneous photoelectrochemical response, and their junction significantly improves the internal electric field by separating photoexcited charge carriers. This work provides a conclusive experimental and theoretical validation for an internal electric field and charge flow direction in non-noble-metal-based heterostructure photocatalysts.

研究领域: 材料科学 · 催化化学
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JOURNAL OF POWER SOURCES · 2023 · IF 9.2

Enhanced photocatalytic NH3 synthesis for Bi2MoO6 regulated by doping of fluorine and iodine

Dekun Shi,Zhaojun Shi,Lixin Zhang,Yaan Cao

This study presents a novel fluorine and iodine co-doped Bi 2 MoO 6 (Bi 2 MoO 6 –F–I) photocatalyst prepared using a solvothermal method . The photocatalytic performance of Bi 2 MoO 6 –F–I in N 2 photocatalytic reduction to NH 3 is considerably enhanced compared to that of pristine Bi 2 MoO 6 . The experimental findings and theoretical calculations reveal that F − substitute lattice O 2− in Bi 2 MoO 6 , creating a -Mo-F-Mo- configuration, while I − modifies the surface, forming -Bi-I species in Bi 2 MoO 6 –F–I, which serve as high-adsorption centres and active surface sites, facilitating N 2 and H 2 O molecule adsorption and activation on the surface. The synergistic effect of F − doping and -Bi-I surface species optimizes the band structure of Bi 2 MoO 6 –F–I, aligning more effectively with the redox potential of N 2 photoreduction, which consequently promotes photogenerated carrier separation and redox capability. The remarkable improvement in the photocatalytic performance of Bi 2 MoO 6 –F–I in N 2 photoreduction to NH 3 lays foundation for designing and fabricating high-performance Bi 2 MoO 6 -based photocatalysts.

CAS / MDL: 10035-06-0
研究领域: 材料科学 · 环境科学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2025 · IF 21.1

Fluorine-doped CoFe2O4/MoS2 for efficient Fenton catalysis at minimal oxidant dosage

Haoran Yu,Longgang Chu,Cheng Gu,Mingyang Xing

In this study, we present an effective modification strategy for cobalt ferrate (CoFe₂O₄), a cost-effective heterogeneous Fenton catalyst. Electron microscopic observation and X-ray diffraction results confirmed the successful hydrothermal synthesis of F-CoFe₂O₄/MoS₂. Notably, F-CoFe₂O₄/MoS₂ exhibited a high pollutant degradation efficiency (over 90 % within 30 min) across a broad pH range (4.0–9.0), along with excellent cyclic stability (up to 10 cycles) and environmental robustness. The effectiveness of the catalyst in treating real water samples and its performance in continuous-flow operations were also demonstrated. Fluorine (F) doping and integration with molybdenum sulfide (MoS₂) as a co-catalyst significantly facilitated metal ion release and promoted the formation of an acidic microenvironment on the catalyst surface, which accelerated Fe³ ⁺/Fe²⁺ cycling and enhanced CoFe₂O₄ performance in H₂O₂ activation and pollutant degradation. This work provides valuable insights for designing more efficient catalysts for heterogeneous Fenton oxidation systems in water treatment applications.

研究领域: 环境科学 · 材料科学
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Scientific Reports · 2022 ·Vol. 12 ·期 1 ·1-8 · IF 4.996

The optoelectronic properties improvement of double perovskites Cs2SnI6 by anionic doping (F−)

Wu Junsheng,Zhao Zhuo,Zhou Yanwen

Tin-based perovskite material is the best choice to replace heavy metal element lead during the last several years. Cs 2 SnI 6 with Sn 4+ is a fascinating optoelectronic material, which is a more air-stable composite cesium tin halide peroxide variant from CsSnI 3 . However, the optoelectronic performance between N and P type of Cs 2 SnI 6 varies considerably. Herein, we synthesized uniform Cs 2 SnI 6 by modified two-step method, which thermal evaporated CsI firstly, and followed annealing in the SnI 4 and I 2 vapor at 150 °C resulted in uniform Cs 2 SnI 6 films. SnF 4 is used as a dopant source to improve the optoelectronic properties of Cs 2 SnI 6 films. Results indicate that good crystallinity was obtained for all films and the doped films underwent a crystalline plane meritocracy transition. The doped films had a flat, non-porous morphology with large grains. The high transmittance of the doped films in the infrared region led to the avoidance of self-generated thermal decomposition. With the help of F − , the films became more conductive and had higher carrier mobility. DFT calculations showed that doping with F reduced the surface energy of (004), resulted in a preferred orientation transition in the crystal of Cs 2 SnI 6 . Fluorine doped double layer perovskite materials would have a broader application prospect.

研究领域: 材料科学 · 物理化学
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CERAMICS INTERNATIONAL · 2025 · IF 5.6

Mechanism Study of Highly Ionic Conductivity for F-doped CaO-Gd2O3-CeO2 Solid Electrolyte

Xu Zhang,Shuting Li,Jiyang Zhang,Jihong Liu,Chaoyang Huang,Jiapeng Zhu,Guixiao Jia,Shengli An

CeO 2 is a promising electrolyte for intermediate-temperature solid oxide fuel cells (IT-SOFCs). Studies have found that F-doping improves its ionic conductivity, but the underlying mechanisms remain unclear. Therefore, this study employs a DFT+U method to calculate geometrical and electronic structures and oxygen ion migrations of Gd-, Ca- and F-dopings co-doped CeO 2 . The calculated results are verified by our experiment. DFT calculations find that oxygen vacancies (V) are easily formed at next-neighboring sites near the F - ions, different with the case of Gd- and Ca-doped CeO 2 . Gd-, Ca- and F-dopings strengthen Ce-O bonds, inconstant with the result from the reported experimental hypothesis for the F-doping. The F-doping restrains the change of Ce 4+ to Ce 3+ . Migration energy barriers E m of oxygen ions are mainly affected by the migration distances and peripherally done by the oxygen vacancy cavity size and the defect association. Due to the lager oxygen vacancy cavity size and the smaller defect association in CGOF and CGOCF, the F-dopings have the smaller E m . This is contrary to the speculation of the reported experimental study based on the electronegative comparison of F and O. Our experiment finds that Ca and F co-doping significantly increases the conductivity, 3.9 times of the conductivity of Gd-doped CeO 2 . The study clarifies the nature mechanism of the ionic conductivity in doped CeO 2 , offering atomic-level insights to aid the development of high-performance CeO 2 -based electrolytes.

研究领域: 材料科学 · 能源科学
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JOURNAL OF MOLECULAR MODELING · 2021 ·Vol. 27 ·期 6 ·1-8 · IF 1.81

Investigation of optical properties for N- and F-doped triangular shaped carbon molecules

Xu Shuhong,Tan Linfeng,Liu Fan,Cui Yiping,Wang Chunlei,Zhang Rong

Optical properties of N- and F-doping triangular-shaped carbon molecules have been investigated in theory and experiment. The theoretical results showed that carbon molecules with impurity F and Cl have the same characters with pure carbon. Doping N into pure carbon molecule would change the optical rotation at 589 nm. For doping N replacing hydrogen atom structures (N-doping 1 and N-doping 2 molecules), the absorption spectra of them are similar to pure carbon molecule. However, for molecules with impurity N atom in benzene ring (N-doping 3 and N-doping 4 molecules), the peaks of wavelength of absorption spectra shift to long wavelength compared to that of pure carbon molecule. Moreover, the delocalization of molecular orbital (MO) is different from pure carbon molecule, which is caused by the impurity N changing the electrons distribution of benzene ring. We have calculated 3 without H and 4 without H molecules which are removing hydrogen atom in nitrogen atom from N-doping 3 and 4. 3 without H and 4 without H molecules have similar optical properties with pure carbon molecule. The results testified that the impurity N and F would not change the optical properties of carbon molecule if impurity did not change the delocalization of all benzene rings. Graphical abstract Optical properties of nitrogen- and fluorine-doping carbon molecules investigating in theory and experiment.

CAS / MDL: 57-13-6
研究领域: 材料科学 · 化学
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2024 · IF 8.1

Anion doping with fluorine to a durable ceria-based electrolyte

Wanli Sun,Xinlei Yang,Fan Yang,Hao Wang

Pure/undoped ceria materials have attracted lots of interests for semiconductor membrane fuel cells (SMFCs) operated at reduced temperature, among of them, commercialized CeO 2 in nano-scales exhibits an impressive transient electrical property with obvious high performance price ratio. Nevertheless, its excessive voltage attenuation rate and short circuit issues hinder the potential electrolyte application in low-temperature ceramic fuel cell. In this work, an innovative anion doping process is demonstrated to tune the commercialized CeO 2 to a durable fluorine-doped ceria electrolyte, which is beyond the cation structural doping strategy usually utilized in ceria-based materials. Assembled with symmetrical NCAL electrode, the CeO 2-y-δ F y electrolyte succeed in a superior fuel cell properties with high open circuit voltage (OCV) and improved power density of 427.8 mW cm −2 at 550 °C. More importantly, compared to pure CeO 2 electrolyte counterpart, the optimized fuel cell on fluorine-doped CeO 2 (CeO 2-y-δ F y ) electrolyte material exhibits a two-order reduction of attenuation rate of operative voltage at current density of 156 mA cm −2 . The effects of fluorine doping on the morphology and structure of CeO 2 and the electrochemical properties of semiconductor were proved by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analysis. Fluorine doping modification is believed as a universal strategy for ceria-based and other nano metal oxide semiconductor MOS electrolyte materials.

CAS / MDL: 7758-88-5
研究领域: 材料科学 · 能源科学
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ACTA MATERIALIA · 2023 · IF 9.4

Synergistic effect of fluorine doping and oxygen vacancies on electrochemical performance of ZnCo2O4 for advanced supercapacitors and Zn-ion batteries

Siyu Wang,Ning Ding,Dandan Han,Ping Wang,Yupeng Dang,Pengcheng Xu,Yanwei Sui,Yen Wei

Defects in nanomaterials have been widely used to introduce new properties of pristine materials for electrochemical energy storage. However, most of the research has focused on the effect of single defect while ignoring the synergy of multifold defects on enhancing electrochemical performance . Herein, we have modeled bulk phase oxygen substitution and surface oxygen vacancy on ZnCo 2 O 4 nanowires grown on nickel foam for the first time (F-ZnCo 2 O 4-x ), revealing the role of double defects and providing new insights into the effects of electrochemical properties . The enhanced oxygen vacancy concentration and increased active sites enable rapid and sufficient redox reaction of the active components. Therefore, the representative F-ZnCo 2 O 4-x electrode achieves a high specific capacity of 664 mAh·g −1 at 1 A·g −1 . Moreover, high energy density (E HSC , 60 Wh·kg −1 ) and good cycle stability (90.44% capacity retention after 10000 cycles) could be provided as a battery-type electrode of hybrid supercapacitor . The electrodes also have high energy density (E cell , 692 Wh·kg −1 ) and good durability (capacity retention of 98.8% after 2000 cycles) when used as zinc ion batteries . This work supplies a new avenue on the universality of defect engineering to design bimetallic oxide with high electrochemical performance .

研究领域: 材料科学 · 电化学能源存储
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RSC Advances · 2018 ·Vol. 8 ·期 11 ·6053-6062 · IF 2.936

Photoluminescent F-doped carbon dots prepared by ring-opening reaction for gene delivery and cell imaging

Tian-Ying Luo,Xi He,Ji Zhang,Ping Chen,Yan-Hong Liu,Hai-Jiao Wang,Xiao-Qi Yu

Carbon dots (CDs) are photoluminescent nanoparticles with distinctive properties, having great potential in nano-biomaterial systems such as gene/drug delivery vectors and cell imaging agents. Fluorine-doped CD C-6F was prepared by a one-step ring-opening polymerization-dehydrative carbonization (RPDC) approach based on low molecular weight polyethyleneimine (PEI, 600 Da) and fluorinated diglycidyl ethers, while the non-fluorinated counterpart C-6H and the CD prepared from PEI 600 Da solely (C-600) were also prepared for comparison. TEM, FT-IR and XPS were performed to determine the compositions and surface states of the CDs. In vitro cell experiment results reveal that the CDs prepared from RPDC approach have much higher transfection efficiency and cellular uptake than PEI 600 contrasts in various cell lines. Compared to non-fluorinated C-6H, C-6F exhibited distinctly higher transfection efficiency, and up to 30 and 260 times higher efficiency than PEI 25 kDa could be achieved in the absence and presence of serum, respectively, indicating the advantage of F-doping. Besides, these CDs exhibit good cell imaging capability under single wavelength excitation, making the materials suitable for cellular tracking and transfection mechanism studies. These results demonstrate that fluorine-doping is an efficient approach to obtained CD gene vectors with high efficiency and serum tolerance.

研究领域: 生物材料 · 纳米医学 · 细胞生物学
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Materials · 2025 ·Vol. 18 ·期 9 ·1980 · IF 3.2

Stability Improvement of Solution-Processed Metal Oxide Thin-Film Transistors Using Fluorine-Doped Zirconium Oxide Dielectric

Haoxuan Xu,Bo Deng,Xinan Zhang

Solution-processed metal oxide dielectrics often result in unstable thin-film transistor (TFT) performance, hindering the development of next-generation metal oxide electronics. In this study, we prepared fluorine (F)-doped zirconium oxide (ZrO2) dielectric layers using a chemical solution method to construct TFTs. The characterization by X-ray photoelectron spectroscopy (XPS) revealed that appropriate fluoride doping significantly reduces oxygen vacancies and the concentration of hydroxyl groups, thereby suppressing polarization processes. Subsequently, the electrical properties of Al/F:ZrO2/n++Si capacitors were evaluated, demonstrating that the optimized 10% F:ZrO2dielectric exhibits a low leakage current density and stable capacitance across a wide frequency range. Indium zinc oxide (IZO) TFTs incorporating 10% F:ZrO2dielectric layers were then fabricated. These devices displayed reliable electrical characteristics, including high mobility over a broad frequency range, reduced dual-sweep hysteresis, and excellent stability under positive-bias stress (PBS) after three months of aging. These findings indicate that the use of the fluorine-doped ZrO2dielectric is a versatile strategy for achieving high-performance metal oxide thin-film electronics.

研究领域: 材料科学 · 电子工程
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VACUUM · 2024 · IF 3.8

Nitrogen, fluorine and boron tri-doped flower-like porous carbon derived from sodium carboxymethyl starch for high-performance supercapacitors

Bian Zhentao,Ye Ziyan,Zhang Yiru,Ye Ru,Zhu Yanyan,Liu Chengcheng,Zhang Pinghua,Wang Hongyan,Chen Chong,Zhuo Xin,Zhang Keying

In this work, nitrogen, fluorine, and boron tri-doped flower-like porous carbons were prepared from sodium carboxymethyl starch (CMS) by using potassium hydroxide (KOH) as an activator and ammonium borofluoride (NH 4 FB 4 ) as a heteroatomic dopant. The specific surface area ( S BET ), total pore volume ( V t ), pore size distribution (PSD), heteroatom content and electrochemical performance of the samples were directly determined by the KOH content. The optimized material (CMS-F/B/N-4) showed a flower-like porous structure with a large S BET (666 m 2  g −1 ) and an appreciable amount of heteroatoms (oxygen: 8.01 at.%, nitrogen: 1.56 at.%, fluorine: 2.22 at.% and boron: 0.75 at.%). Owing to these merits, the supercapacitor based on CMS-F/B/N-4 displayed a maximum specific capacitance ( C g ) of 219.2 F g −1 at 1 A g −1 and a high performance, with more than 72.5% of initial capacitance was retained when the current density was increased from 1 to 10 A g −1 . In addition, a symmetric cell was assembled with a wide voltage range of 2.0 in 1 M Na 2 SO 4 aqueous electrolyte, delivering a relatively high energy density of 26.47 Wh kg −1 at 500 W kg −1 and stable performance of ∼99% retention after 10,000 cycles. This study demonstrated the feasibility of fabricating porous carbon with specific morphology and heteroatom doping from natural polysaccharide polymers. The findings indicate an avenue toward practical applications of carbon-based supercapacitors.

研究领域: 材料科学 · 能源存储
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JOURNAL OF POWER SOURCES · 2020 · IF 8.247

Hole extraction and injection pathways constructed by the in situ growth of ultra-thin Fe-doped NiOOH Co-catalysts on a fluorine-doped α-Fe2O3 photoanode

Jing Li,Feng Li,Jun Jin

Hematite can be used as an efficient photoanode for solar water oxidation , but its oxygen evolution kinetics are quite slow. Herein, we developed an efficient hole transport photoanode via the in situ growth of ultrathin Fe-doped NiOOH on fluorine-doped hematite arrays using a natural growth strategy. The resulting FeNiOOH/F–Fe 2 O 3 photoanode showed a high charge separation and injection efficiency. It achieved a stable photocurrent density of 2.52 mA cm −2 at 1.23 V vs. RHE, which was approximately 4.1-fold higher than that of pristine α-Fe 2 O 3 . Systematic studies revealed that the excellent photoelectrochemical activity was due to heteroatom doping and interactions between the co-catalyst (FeNiOOH) and F–Fe 2 O 3 . Fe doping primarily changed the lattice strain of the co-catalyst, while F doping decreased surface charge recombination and enhanced the intrinsic conductivity of hematite by increasing the carrier density. An ultrathin, amorphous layer of FeNiOOH further accelerated photogenerated hole extraction and the water oxidation kinetics. This work provides a method to produce new, cost-effective photoanodes for clean hydrogen production .

研究领域: 材料科学 · 可再生能源 · 光催化
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