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< Page ,Total 13 >
Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air SCIE
期刊论文 | 2025 , 147 (16) , 13885-13892 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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Abstract :

Photocatalysts with abundant oxygen vacancies (OVs) exhibit enhanced activity for the direct oxidation of benzene to phenol with O2, owing to their superior O2 activation and charge separation properties. However, OVs on metal oxide surfaces such as WO3 are susceptible to healing by oxygen-containing reactants or intermediates, leading to their irreversible deactivation. Herein, we demonstrate that incorporating Mo into the WO3 lattice effectively lowers the energy barrier for OV formation, promoting the dynamic formation of more abundant photoinduced OVs in situ on the surface during the photocatalytic reaction. These Mo-promoted photoinduced OVs are found to ensure the long-term sustainability of sufficient OVs under working conditions, enhancing photocatalytic performance and particularly its durability in the aerobic oxidation of benzene to phenol. These findings provide a straightforward strategy to overcome the issue of OV healing, enabling the sustainable operation of OV-rich photocatalysts for a range of emerging applications, even in O2-involved redox reactions.

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GB/T 7714 Yu, Zhenzhen , Yu, Dexi , Wang, Xiaoyi et al. Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air [J]. | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 2025 , 147 (16) : 13885-13892 .
MLA Yu, Zhenzhen et al. "Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air" . | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 147 . 16 (2025) : 13885-13892 .
APA Yu, Zhenzhen , Yu, Dexi , Wang, Xiaoyi , Huang, Meirong , Hou, Yidong , Lin, Wei et al. Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air . | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 2025 , 147 (16) , 13885-13892 .
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Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air Scopus
期刊论文 | 2025 , 147 (16) , 13885-13892 | Journal of the American Chemical Society
Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air EI
期刊论文 | 2025 , 147 (16) , 13885-13892 | Journal of the American Chemical Society
Photoinduced Formation of Oxygen Vacancies on Mo-Incorporated WO3 for Direct Oxidation of Benzene to Phenol by Air Scopus
期刊论文 | 2025 | Journal of the American Chemical Society
First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR EI
期刊论文 | 2025 , 697 | Journal of Colloid and Interface Science
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Abstract :

How to improve the efficiency and selectivity of deep reduction product during the process of CO2RR still remains a challenging task in the design of single atom catalyst (SAC). In this study, TM/Ti2CO2 (TM = Sc-Ni) with one surface O atom being substituted by either N (TM/Ti2CO2_N) or B (TM/Ti2CO2_B) was investigated via the density functional theory with respect to their catalytic performance in CO2RR. By comparison, doping boron reduces the polar covalency of TM-B interaction, whose electronic configuration becomes quite different from that of both TM-O and TM-N interaction. Owing to such special bonding characteristics, TM/Ti2CO2_B displays much stronger inclination towards CH4 formation by effectively increasing the binding strength of reaction intermediates during CO formation and breaking the scaling relation between CO* and CHO*. Furthermore, the work function and d-band center were employed as descriptors to quantify the catalytic efficiency of different C1 products, from which the optimum catalysts for both CO (Mn/Ti2CO2_N, UL = −0.18 V) and CH4 (Fe/Ti2CO2_B, UL = −0.29 V) have been determined. Overall, our results suggest that the catalytic performance of MXene-based SACs towards different C1 products could be significantly improved by introducing the exotic functional group. © 2025 Elsevier Inc.

Keyword :

Local density approximation Local density approximation Reaction intermediates Reaction intermediates

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GB/T 7714 Yu, Jie , Zeng, Yabing , Chen, Junyao et al. First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR [J]. | Journal of Colloid and Interface Science , 2025 , 697 .
MLA Yu, Jie et al. "First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR" . | Journal of Colloid and Interface Science 697 (2025) .
APA Yu, Jie , Zeng, Yabing , Chen, Junyao , Tan, Kai , Lin, Wei . First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR . | Journal of Colloid and Interface Science , 2025 , 697 .
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First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR SCIE
期刊论文 | 2025 , 697 | JOURNAL OF COLLOID AND INTERFACE SCIENCE
First-principles investigation into influence of exotic functional groups on enhancing catalytic performance of MXene-based single atom catalysts towards CO2RR Scopus
期刊论文 | 2025 , 697 | Journal of Colloid and Interface Science
A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes SCIE
期刊论文 | 2025 , 150 (9) , 1778-1784 | ANALYST
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Abstract :

Lead pollution presents a significant threat to ecological systems and human health, underscoring the urgent need for highly sensitive detection methods. Herein, we introduce a novel DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor (MDD-Cas12a) for sensitive detection of Pb2+ based on DNAzymes. To accomplish this, we designed a substrate strand containing a long DNA concatemer encoding multiple protospacer adjacent motifs (PAMs) and protospacer sequences for activation of the CRISPR/Cas12a system. The DNA concatemer was subsequently anchored to the surface of magnetic beads (MBs) to fabricate a MBs-DNA concatemer nanoprobe. In the presence of Pb2+, the DNAzyme structure catalyzes the cleavage of the substrate strand, leading to the release of DNA concatemers. Following magnetic separation, the released DNA concatemers significantly activate the non-specific trans-cleavage activity of the Cas12a/crRNA complex. The fluorescence reporter DNA is then completely cleaved by the activated Cas12a/crRNA complex, and the Pb2+ concentration in the sample can be quantified by measuring the fluorescence signal. By harnessing the specific recognition capability of DNAzymes for Pb2+, the programmability of DNA concatemers, and the self-amplification features of the CRISPR/Cas12a system, the MDD-Cas12a platform demonstrates high sensitivity and specificity for detecting Pb2+ in milk and lake water samples.

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GB/T 7714 He, Shaoying , Lin, Wei , Liu, Xin et al. A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes [J]. | ANALYST , 2025 , 150 (9) : 1778-1784 .
MLA He, Shaoying et al. "A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes" . | ANALYST 150 . 9 (2025) : 1778-1784 .
APA He, Shaoying , Lin, Wei , Liu, Xin , Li, Fei , Liang, Hong , Xu, Huo et al. A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes . | ANALYST , 2025 , 150 (9) , 1778-1784 .
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A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes Scopus
期刊论文 | 2025 , 150 (9) , 1778-1784 | Analyst
A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes EI
期刊论文 | 2025 , 150 (9) , 1778-1784 | Analyst
A DNA concatemer-encoded CRISPR/Cas12a fluorescence sensor for sensitive detection of Pb2+ based on DNAzymes Scopus
期刊论文 | 2025 | Analyst
Paper-based SERS chips for the rapid detection of thiram SCIE
期刊论文 | 2025 , 332 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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Abstract :

A simple one-pot method is developed to prepare positively charged aggregated silver nanoparticles (a-AgNPs). The obtained a-AgNPs show strong localized surface plasmon resonance (LSPR) absorption, whose wavelength can be easily tuned to match the commonly used lasers in surface enhanced Raman scattering (SERS). Furthermore, the obtained a-AgNPs can be easily fabricated into paper-based SERS chips by filtering against a negatively charged filter membrane. On the basis, a convenient SERS sensor has been developed for the detection of thiram using a 785 nm handheld Raman spectrometer.

Keyword :

Aggregated AgNPs Aggregated AgNPs Paper-based chips Paper-based chips Positively charged Positively charged SERS SERS Thiram Thiram

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GB/T 7714 Lin, Wei , Liu, Zesong , Zhang, Jingwen et al. Paper-based SERS chips for the rapid detection of thiram [J]. | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , 2025 , 332 .
MLA Lin, Wei et al. "Paper-based SERS chips for the rapid detection of thiram" . | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 332 (2025) .
APA Lin, Wei , Liu, Zesong , Zhang, Jingwen , Xu, Jinhua , Fu, Fengfu , Lin, Zhenyu et al. Paper-based SERS chips for the rapid detection of thiram . | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , 2025 , 332 .
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Paper-based SERS chips for the rapid detection of thiram Scopus
期刊论文 | 2025 , 332 | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Paper-based SERS chips for the rapid detection of thiram EI
期刊论文 | 2025 , 332 | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Investigation into the Exciton Binding Energy of Carbon Nitrides on Band Structure and Carrier Concentration through the Photoluminescence Effect SCIE
期刊论文 | 2024 , 14 (4) | CATALYSTS
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Abstract :

Carbon nitrides form a series of polymer semiconductors popular in photocatalysis. In the course of photoresponse, the separation of light-induced electron-hole pairs is one of the critical factors that affect the conversion rate from photoenergy to chemical substance. Exciton binding energy (Eb) is treated as a classical parameter to evaluate the barrier of exciton dissociation. In this work, we study the electronic and optical nature of two specific members of the carbon nitride family, polymeric carbon nitride (melon) and crystallized poly(triazine imide) (PTI/Li+Cl-) by employing the photoluminescence spectra and density functional theory (DFT) calculations based on the Wannier-Mott exciton module. The results of self-consistent GW computation were applied. The measurement of photoluminescence spectra, by which exciton binding energies are estimated, is likewise discussed. Generally, compared with the results calculated by GW-BSE, the DFT results based on the Wannier-Mott model are closer to the experimental values. From a materials perspective, on the other hand, the exciton binding energy of the melon is lower than that of PTI/Li+Cl-.

Keyword :

carbon nitride carbon nitride DFT calculation DFT calculation exciton binding energy exciton binding energy photoluminescence spectra photoluminescence spectra

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GB/T 7714 Lin, Zhiyou , Cai, Xu , Lin, Wei . Investigation into the Exciton Binding Energy of Carbon Nitrides on Band Structure and Carrier Concentration through the Photoluminescence Effect [J]. | CATALYSTS , 2024 , 14 (4) .
MLA Lin, Zhiyou et al. "Investigation into the Exciton Binding Energy of Carbon Nitrides on Band Structure and Carrier Concentration through the Photoluminescence Effect" . | CATALYSTS 14 . 4 (2024) .
APA Lin, Zhiyou , Cai, Xu , Lin, Wei . Investigation into the Exciton Binding Energy of Carbon Nitrides on Band Structure and Carrier Concentration through the Photoluminescence Effect . | CATALYSTS , 2024 , 14 (4) .
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Investigation into the Exciton Binding Energy of Carbon Nitrides on Band Structure and Carrier Concentration through the Photoluminescence Effect Scopus
期刊论文 | 2024 , 14 (4) | Catalysts
Dynamic cooperations between lattice oxygen and oxygen vacancies for photocatalytic ethane dehydrogenation by a self-restoring LaVO4 catalyst CSCD
期刊论文 | 2024 , 35 (3) , 171-176 | 中国化学快报(英文版)
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Thermocatalytic nonoxidative ethane dehydrogenation(EDH)is a promising strategy for ethene produc-tion but suffers from intense energy consumption and poor catalyst durability;exploring technology that permits efficient EDH by solar energy remains a giant challenge.Herein,we present that an oxygen va-cancy(Ov)-rich LaVO4(LaV04-Ov)catalyst is highly active and stable for photocatalytic EDH,through a dynamic lattice oxygen(Olatt.)and Ov co-mediated mechanism.Irradiated by simulated sunlight at mild conditions,LaVO4-Ov effectively dehydrogenates undiluted ethane to produce C2H4 and CO with a con-version of 2.3%.By loading a small amount of Pt cocatalyst,the evolution and selectivity of C2H4 are en-hanced to 275 μmol h-1 g-1 and 96.8%.Of note,LaVO4-Ov appears nearly no carbon deposition after the reaction.The isotope tracked reactions reveal that the consumed Olatt.recuperates by exposing the used catalyst with O2,thus establishing a dynamic cycle of Olatt,and achieving a facile catalyst regeneration to preserve its intrinsic activity.The refreshed LaVO4-Ov exhibits superior reusability and delivers a turnover number of about 305.The Ov promotes photo absorption,boosts ethane adsorption/activation,and accel-erates charge separation/transfer,thus improving the photocatalytic efficiency.The possible photocatalytic EDH mechanism is proposed,considering the key intermediates predicted by density functional theory(DFT)and monitored by in-situ diffuse reflectance infrared Fourier transform spectroscopy(DRIFTS).

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GB/T 7714 Fen Wei , Weichao Xue , Zhiyang Yu et al. Dynamic cooperations between lattice oxygen and oxygen vacancies for photocatalytic ethane dehydrogenation by a self-restoring LaVO4 catalyst [J]. | 中国化学快报(英文版) , 2024 , 35 (3) : 171-176 .
MLA Fen Wei et al. "Dynamic cooperations between lattice oxygen and oxygen vacancies for photocatalytic ethane dehydrogenation by a self-restoring LaVO4 catalyst" . | 中国化学快报(英文版) 35 . 3 (2024) : 171-176 .
APA Fen Wei , Weichao Xue , Zhiyang Yu , Xue Feng Lu , Sibo Wang , Wei Lin et al. Dynamic cooperations between lattice oxygen and oxygen vacancies for photocatalytic ethane dehydrogenation by a self-restoring LaVO4 catalyst . | 中国化学快报(英文版) , 2024 , 35 (3) , 171-176 .
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Two-dimensional correlation infrared spectroscopy study on vanadoborate anionic skeleton regulated by countercations SCIE
期刊论文 | 2024 , 311 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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Abstract :

Two novel vanadoborate compounds, [Cu(en)2]3[Li(H2O)]4[Li(H2O)3]2[V12B18O50(OH)10(H2O)]2 & sdot;33.5H2O (1) and (H2en)4[Li(H2O)]4[V12B18O55(OH)5(H2O)]& sdot;14H2O (2), were synthesized via hydrothermal synthesis under identical conditions except for temperature. Structural analysis revealed that although both contain [V12B18O60]n- cluster anion, the different countercations potentially lead to variations in the [V12B18O60]ncluster anion skeletons. In compound 1, the V4+/V5+ ratio was 10:2; while in compound 2 the ratio was 11:1. It is speculated that different countercations may influence the valence states of cluster anions. In this study, quantum chemical calculations revealed that the aromaticity and activity of the two compounds were different, and twodimensional correlation infrared spectroscopy (2D-COS-IR) under magnetic perturbation confirmed that distinct response peaks of functional group vibrations to the magnetic field due to the different V4+/V5+ ratios and aromaticity of the two compounds. An electrochemical analysis revealed that compound 2 exhibits higher electrocatalytic activity. The results of quantum chemical calculations are aligned not only with the changes in the 2D-COS-IR spectra but also with the conclusions obtained from experiments on electrochemical properties. Overall, this work proposes a novel strategy for interpreting the alteration of vanadoborate anionic skeleton due to the introduction of different countercations by combining 2D-COS-IR with quantum chemical calculations.

Keyword :

Electrocatalyst Electrocatalyst Quantum chemical calculation Quantum chemical calculation spectroscopy spectroscopy Two-dimensional correlation infrared Two-dimensional correlation infrared Vanadoborate Vanadoborate

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GB/T 7714 Meng, Ming-Ze , Shi, Gui-Dong , Cheng, Ling-Ling et al. Two-dimensional correlation infrared spectroscopy study on vanadoborate anionic skeleton regulated by countercations [J]. | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , 2024 , 311 .
MLA Meng, Ming-Ze et al. "Two-dimensional correlation infrared spectroscopy study on vanadoborate anionic skeleton regulated by countercations" . | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 311 (2024) .
APA Meng, Ming-Ze , Shi, Gui-Dong , Cheng, Ling-Ling , Chen, Yi-Ping , Zhang, Yong-Fan , Lin, Wei . Two-dimensional correlation infrared spectroscopy study on vanadoborate anionic skeleton regulated by countercations . | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , 2024 , 311 .
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Two-dimensional correlation infrared spectroscopy study on vanadoborate anionic skeleton regulated by countercations EI
期刊论文 | 2024 , 311 | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Two-dimensional correlation infrared spectroscopy study on vanadoborate anionic skeleton regulated by countercations Scopus
期刊论文 | 2024 , 311 | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization SCIE
期刊论文 | 2024 , 34 (10) | ADVANCED FUNCTIONAL MATERIALS
WoS CC Cited Count: 10
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Abstract :

Carbon nitride (CN) materials have been employed as catalysts in many scientific fields. Moreover, highly crystalline CN as an ideal model material for key problems in catalytic reaction research has received a lot of attention. Herein, the Li+ incorporated highly crystalline poly(triazine imide) (PTI-Li+) with a well-defined structure is successfully fabricated through the ionothermal method. The atomically dispersed Li in the PTI-Li+ serve as the active sites in the selective catalytic oxidation of H2S, and the interaction between Li ions and PTI-Li+ framework extends electron delocalization and modulate electronic band structure resulting in improved O2 and H2S adsorption and activation ability. Consequently, PTI-Li+ shows excellent selective catalytic desulfurization activity and durability. This work not only designs an efficient desulfurization catalyst but also demonstrates the role of these atomically dispersed Li ions in PTI-Li+ during the catalytic reaction, enlightening the deeper understanding and wider application of carbon nitride materials. PTI-Li+ with a clear structure is used for selective catalytic oxidation of H2S. The triazine-based structure and atomically dispersed Li ions endow PTI-Li+ with excellent catalytic performance and durability. This study highlights the role of structural Li ions in the catalytic reaction, which enlightens the deeper understanding and targeted improvements of carbon nitride materials.image

Keyword :

desulfurization desulfurization heterogeneous catalysis heterogeneous catalysis poly(triazine imide) poly(triazine imide) selective catalytic oxidation selective catalytic oxidation structural lithium atom structural lithium atom

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GB/T 7714 Lyu, Shihuan , Wang, Jiali , Zhou, Yuqiao et al. Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization [J]. | ADVANCED FUNCTIONAL MATERIALS , 2024 , 34 (10) .
MLA Lyu, Shihuan et al. "Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization" . | ADVANCED FUNCTIONAL MATERIALS 34 . 10 (2024) .
APA Lyu, Shihuan , Wang, Jiali , Zhou, Yuqiao , Wei, Changgeng , Liang, Xiaocong , Yu, Zhiyang et al. Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization . | ADVANCED FUNCTIONAL MATERIALS , 2024 , 34 (10) .
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Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization Scopus
期刊论文 | 2024 , 34 (10) | Advanced Functional Materials
Structural Lithium Incorporated with the Crystalline Poly(Triazine Imide) Frameworks for Selective Catalytic Oxidative Desulfurization EI
期刊论文 | 2024 , 34 (10) | Advanced Functional Materials
Heterogeneous metallaphotocatalytic Cross-Coupling reactions by a carbon Nitride-Nickel catalyst SCIE
期刊论文 | 2024 , 433 | JOURNAL OF CATALYSIS
WoS CC Cited Count: 4
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Abstract :

The integration of heterogeneous photocatalysts with nickel catalysis is garnering considerable interest for their capacity to enable distinct metal-photoredox processes for organic synthesis. However, the challenge about robustness and recyclability of the photocatalyst persists. Herein, a crystalline carbon nitride (MCN-B) photocatalyst with intentionally introduced defects and a dedicated designed active site has been presented. Results reveal by incorporating the deprotonated cyano-group (N--CN) sites, this host material could provide stable binding sites for Ni (II) ions through the Hard-Soft Acid-Base (HSAB) effect, thereby facilitating charge transmission between semiconductor and metal centers. Consequently, the integrated carbon nitride nickel (Ni/MCNB) heterogeneous photocatalyst demonstrates high effectiveness in diverse photocatalytic C-N coupling reactions (21 examples, up to 93% yield) under conditions free from organic ligands and additives, which shows competent performance to the homogeneous catalysts. Moreover, the Ni/MCN-B catalyst demonstrates remarkable recyclability, maintaining its photoredox efficiency after 10 cycles with minimal loss of activity and a diminished metal leaching rate, which signifies a substantial advancement in the field of photocatalytic system design.

Keyword :

Carbon nitride Carbon nitride Cross-coupling Cross-coupling Crystalline polymer Crystalline polymer Photocatalysis Photocatalysis

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GB/T 7714 Zhang, Huali , Chen, Xiaoxiao , Cheng, Jiajia et al. Heterogeneous metallaphotocatalytic Cross-Coupling reactions by a carbon Nitride-Nickel catalyst [J]. | JOURNAL OF CATALYSIS , 2024 , 433 .
MLA Zhang, Huali et al. "Heterogeneous metallaphotocatalytic Cross-Coupling reactions by a carbon Nitride-Nickel catalyst" . | JOURNAL OF CATALYSIS 433 (2024) .
APA Zhang, Huali , Chen, Xiaoxiao , Cheng, Jiajia , Yang, Xintuo , Lin, Wei , Hou, Yidong et al. Heterogeneous metallaphotocatalytic Cross-Coupling reactions by a carbon Nitride-Nickel catalyst . | JOURNAL OF CATALYSIS , 2024 , 433 .
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Heterogeneous metallaphotocatalytic Cross-Coupling reactions by a carbon Nitride-Nickel catalyst EI
期刊论文 | 2024 , 433 | Journal of Catalysis
Heterogeneous metallaphotocatalytic Cross-Coupling reactions by a carbon Nitride-Nickel catalyst Scopus
期刊论文 | 2024 , 433 | Journal of Catalysis
Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure SCIE
期刊论文 | 2024 , 160 (12) | JOURNAL OF CHEMICAL PHYSICS
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As typical representatives of group III chalcogenides, InSe, alpha -In2Se3, and beta ' -In2Se3 have drawn considerable interest in the domain of photoelectrochemistry. However, the microscopic mechanisms of carrier dynamics in these systems remain largely unexplored. In this work, we first reveal that hot electrons in the three systems have different cooling rate stages and long-lived hot electrons, through the utilization of density functional theory calculations and nonadiabatic molecular dynamics simulations. Furthermore, the ferroelectric polarization of alpha -In2Se3 weakens the nonadiabatic coupling of the nonradioactive recombination, successfully competing with the narrow bandgap and slow dephasing process, and achieving both high optical absorption efficiency and long carrier lifetime. In addition, we demonstrate that the ferroelectric polarization of alpha -In2Se3 not only enables the formation of the double type-II band alignment in the InSe/alpha -In2Se3/InSe heterostructure, with the top and bottom InSe sublayers acting as acceptors and donors, respectively, but also eliminates the hindrance of the built-in electric field at the interface, facilitating an ultrafast interlayer carrier transfer in the heterojunction. This work establishes an atomic mechanism of carrier dynamics in InSe, alpha -In2Se3, and beta ' -In2Se3 and the regulatory role of the ferroelectric polarization on the charge carrier dynamics, providing a guideline for the design of photoelectronic materials.

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GB/T 7714 Lau, Guanghua , Li, Yi , Zhang, Yongfan et al. Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure [J]. | JOURNAL OF CHEMICAL PHYSICS , 2024 , 160 (12) .
MLA Lau, Guanghua et al. "Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure" . | JOURNAL OF CHEMICAL PHYSICS 160 . 12 (2024) .
APA Lau, Guanghua , Li, Yi , Zhang, Yongfan , Lin, Wei . Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure . | JOURNAL OF CHEMICAL PHYSICS , 2024 , 160 (12) .
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Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure Scopus
期刊论文 | 2024 , 160 (12) | Journal of Chemical Physics
Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure EI
期刊论文 | 2024 , 160 (12) | Journal of Chemical Physics
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