CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Yang Wang,Yuzhen Zhang,Huan Li,Yajie Feng,Jiangping Ma,Chaogang Ban,Andrejs Cesnokovs,Xiaoxing Wang,Lujie Ruan,Shaojie Jing,Linyu Cao,Yisen Niu,Yimin Chen,Chonggeng Ma
Contact-electro-catalysis (CEC) offers a promising mechanochemical pathway for harvesting ubiquitous mechanical energy to drive hydrogen evolution. Bismuth oxyhalides are attractive CEC candidates owing to their layered polar structures and strong internal electric fields, yet their performance is limited by weak interactions between surface sites and adsorbates. Here, we combine density functional theory screening with experimental validation to investigate transition-metal-doped Bi 5 O 7 I as vibration-driven hydrogen evolution catalysts. Ten dopants ( M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) were systematically evaluated with respect to doping feasibility, water adsorption, and electronic characteristics. Among them, Fe-doped Bi 5 O 7 I was identified as a representative system offering a favorable balance of activity, abundance, and cost. Guided by theoretical insights, Fe/Bi 5 O 7 I nanorods were synthesized and demonstrated a hydrogen evolution rate of 2004.11 μmol·g −1 ·h −1 under ultrasonic stimuli. Mechanistic analyses further revealed that Fe doping enriches the electronic states near the Fermi level, enhances water adsorption, and reduces reaction barriers, while strain introduced by mechanical stimulation provides additional electronic modulation. This work establishes a theory-assisted framework for designing transition-metal-doped Bi 5 O 7 I catalysts and highlights the potential of CEC as a sustainable approach to hydrogen production.
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Journal of Water Process Engineering
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2023
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IF 7
Junhui Yi,Runkun Xie,Ruilong Liu,Minghao Li,Haoxian Zeng,Qingqing Chen,Linxuan Cai,Ning Li,Changlin Yu,Zhenghui Liu,Dehao Li
The problem of environmental pollution caused by the frequent use of antibiotics has attracted extensive attention. The heterojunction composed of various bismuth oxyiodide (such as BiOI, Bi 4 O 5 I 2 , Bi 5 O 7 I, etc.) were widely used in the treatment of antibiotic wastewater. Herein, a hollow BiOI/Bi 5 O 7 I hierarchical microsphere was constructed in-situ by annealing BiOI precursors synthesized by the solvothermal method. The phase transition temperature for the formation of heterojunctions has been investigated in detail. The obtained products were characterized by various technologies including transmission electron microscope (TEM), X-ray photon-electron spectroscopy (XPS), and so on. Experimental results suggested that 390-BiOI/Bi 5 O 7 I microsphere with hollow structure exhibits the optimal performance and maximum photocurrent response under visible light irradiation. The efficiency for degradation of tetracycline hydrochloride (TH) was up to 83 % in 100 min. The value still maintained at 95 % after the catalyst has been reused for four times. The capture experiment indicates that produced ·O 2 − played the most important role. But formed h + and ·OH played a secondary role. The degradation intermediates were analyzed by Liquid Chromatography-Mass Spectrometry (LC-MS). Accordingly, the possible degradation pathways are proposed. An S-scheme based heterostructure photocatalytic mechanism is proposed aiming to explain the enhanced catalytic performance. The BiOI/Bi 5 O 7 I heterojunction with exceptional activity and stability is bound to expand applications in the field of water treatment .
研究领域:
环境科学
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材料科学
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JOURNAL OF ENVIRONMENTAL MANAGEMENT
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2025
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IF 8.4
Shikai Xue,Dongying Zhu,Tongxin Wu,Ninghang Zhou,Jiaying Luo,Linqi Liu,Haiyan Wang,Qiujun Lu,Guoxing Yin,Fuyou Du
Photocatalytic technology has garnered significant attention due to its environmentally friendly nature and effective degradation capabilities. However, the absence of photocatalytic materials that possessed high removal efficiency, facile separation from aqueous phases, and good recyclability has constrained the advancement of photocatalytic treatment technologies. To address these challenges, a novel magnetic flower-like Bi 5 O 7 I-modified CuFe 2 O 4 (BOI/CFO) photocatalyst was successfully fabricated via solvothermal method and subsequent calcination. The prepared BOI/CFO composites exhibited excellent antimicrobial properties and highly efficient photocatalytic degradation performance. Under the optimal conditions, the photodegradation efficiency of BOI/CFO composite (10 mg) for doxycycline (20 mg/L) was 99.48 % within 30 min under visible light irradiation, and retain above 88 % even after 5 consecutive uses. Further characterization and bacterial experiments confirmed the presence of a photogenerated electron transfer mechanism in the BOI/CFO composite and its strong antimicrobial capability. Finally, the possible doxycycline degradation pathways were speculated by analyzing the corresponding degradation intermediates with LC-MS method, and the toxicity evolution of the doxycycline degradation products was valuated by using density functional theoretical method. This research is anticipated to furnish valuable insights into the designing of photocatalysts characterized by superior recyclability S-Scheme Heterojunction Photocatalyst.
研究领域:
环境科学
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材料化学
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光催化化学
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环境功能材料
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分子生物学
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药物降解
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计算化学
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微生物学
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PubMed
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2026
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IF 9.1
Ying Hua,Xinyi Yang,Kun Fan,Ziyi Shao,Zhirui Niu,Yanzhong Zhen,Jingyu Ren
Interfacial chemical bonding can induce band edge reorganization in heterojunctions, profoundly altering their photocatalytic mechanisms, but such mechanisms are rarely reported. In this study, an interfacial chemical bonding heterojunction ZnIn 2 S 4 /Bi 5 O 7 I (ZIS/BOI) was successfully synthesized. The degradation kinetic constant of ZIS/BOI for metronidazole was 2.38 times higher than that of pristine ZIS. Experimental characterizations and density functional theory calculations revealed that Bi S bonds were formed at the ZIS/BOI interface by p-p orbital overlap, which induced the reorganization of the band edges of ZIS and BOI. The valence band maximum was localized on BOI, while the conduction band minimum was distributed on ZIS, achieving spatial decoupling of charge carriers and resulting in superior carrier separation efficiency, thereby enhancing the photocatalytic reaction performance. Moreover, a correlation model between pollutant molecular structure and photocatalytic degradation performance was established, revealing that molecular dipole moment was the most important factor determining degradation efficiency. This study demonstrated that interfacial chemical bonding can modify the energy band structure of heterojunctions, where originally independent band edges from different semiconductors merge into a unified set of band edges, thereby yielding a novel photocatalytic mechanism. The findings offer a new theoretical basis for designing high-performance interfacial chemical bonding heterojunction photocatalysts.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2024
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IF 5.8
Guangdong Wu,Juanqin Xue,Zhaoyuan Cao,Yanyan Zhou,Qiang Bi,Yan Zhao,Zhihua Leng
Constructing heterojunction photocatalysts that can make additional utilization of near-infrared (NIR) light has been a global scientific problem and has gained widespread research interest. Upconversion nanoparticles (UCNPs) collaborate with semiconductors to construct UCNPs-based photocatalysts that are used to improve solar energy utilization. In this work, the as-prepared UCNPs-based photocatalysts consisting of NaGdF 4 :Yb 3+ /Er 3+ (NGFYE) and bismuth oxyiodide (BOI) are synthesized by chemical epitaxial growth method and in-situ calcination process. The crystalline phase , morphology, optical and electrochemical properties of NGFYE@BOI samples are investigated in detail. Besides, Bi 4 O 5 I 2 /Bi 5 O 7 I Z-type heterojunction is confirmed by EPR test. Moreover, the photocatalytic elimination of tetracycline hydrochloride (TCH) and its photocatalytic mechanism by NGFYE@BOI samples are explored. This work may provide a promising idea for the efficient and controlled synthesis of UCNPs-based photocatalysts, which will contribute to the future utilization of solar energy.
研究领域:
材料科学
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环境科学
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化学
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INORGANIC CHEMISTRY COMMUNICATIONS
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2023
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IF 3.8
Mingliang Zhang,Fangfang Duo,Chubei Wang,Jianwei Zhou,Liangliang Chu,Jihong Lan,Junwei Li,Lixiang Li
Semiconductor photocatalysis has driven considerable interests for its desirable potential to tackle the worldwide energy shortage and environmental pollution. In this paper, a novel Bi 5 O 7 I/Bi 2 SiO 5 Z-scheme heterojunction photocatalyst was in situ synthesized via a co-crystallization process and partial anion exchange strategy. The XRD and FT-IR pattern validated the successful preparation of the heterojunction. The optimal Bi 5 O 7 I/Bi 2 SiO 5 heterojunction displayed an excellent photocatalytic activity towards the ciprofloxacin under the simulated solar light, and the rate constant (0.46021 h −1 ) was 2 and 7.8 times higher than that of pure BiOI (0.22967 h −1 ) and Bi 2 SiO 5 (0.05877 h −1 ). Similarly, the degradation efficiency on rhodamine B (RhB) reached 94%, which was much higher than that of the single photocatalysis. The enhanced photocatalytic performance of the heterojunction photocatalyst could be attributed to the formation of the direct Z-scheme heterojunction between the Bi 5 O 7 I and Bi 2 SiO 5 , which was favorable for retarding the recombination of photoinduced electron-hole pairs. Moreover, the bacteriostatic activity testing illustrated the toxicity of drug solutions decreased sharply after the photocatalytic degradation with the Bi 5 O 7 I/Bi 2 SiO 5 -3. The ESR characterization analysis and the free radical trapping experiments synergistically determined the Z-scheme electron transfer path of the heterojunction. The possible photocatalytic mechanism of Bi 5 O 7 I/Bi 2 SiO 5 heterojunction was proposed. Overall, the well-designed Bi 5 O 7 I/Bi 2 SiO 5 heterojunction depicted great practical promise in efficient treatment of organic pollutants.
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JOURNAL OF ENVIRONMENTAL MANAGEMENT
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2024
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IF 8
Yong Wang,Shikai Xue,Yuhao Liao,Haiyan Wang,Qiujun Lu,Ningli Tang,Fuyou Du
In this study, Ag/Bi 2 O 3 /Bi 5 O 7 I with s-scheme heterostructures were successfully synthesized in situ by nano-silver modification of CUA-17 and halogenated hydrolysis.The growth rate of Bi 2 O 3 crystals was effectively controlled by adjusting the doping amount of Ag, resulting in the formation of a facet-coupling heterojunctions . Through the investigation of the microstructure and compositional of catalysts, it has been confirmed that an intimate facet coupling between the Bi 2 O 3 (120) facet and the Bi 5 O 7 I (312) facet, which provides robust support for charge transfer. Under visible light irradiation, the AgBOI.3 heterojunction photocatalyst exhibited an outstanding degradation rate of 98.2% for Bisphenol A (BPA) with excellent stability. Further characterization using optical, electrochemical, impedance spectroscopy, and electron spin resonance techniques revealed significantly enhanced efficiency in photogenerated charge separation and transfer, and confirming the s-scheme structure of the photocatalyst. Density functional theory calculations was employed to elucidate the mechanism of BPA degradation and the degradation pathway of BPA was investigated by LC-MS. Finally, the toxicity of the degradation intermediates was evaluated using T.E.S.T software.
研究领域:
环境科学
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材料科学
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PubMed
高影响因子
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