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学者姓名：林伟
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Abstract ：
Tin (Sn)-based perovskite solar cells (PSCs) stand out as a promising low-toxicity alternative to lead (Pb)-based PSCs. However, their progress is hindered by oxygen-induced degradation and inherent crystal defects, challenging their efficiency and durability. Through density functional theory (DFT) calculations, it is found that oxyacid anions including HCOO-, HSO3-, and H2PO2- can strongly coordinate with the SnI2 precursor to form adducts. These complexes help inhibit Sn2+/Sn4+ oxidation in the precursor solution, slow down the crystallization process, and ultimately improve the crystal quality of CsSnI3. Moreover, these oxyacid anions bind to the iodine vacancies (IV) and alloy within the crystal lattice, thereby preventing oxygen molecules from generating detrimental superoxide ions at these sites. Electron structure analysis and nonadiabatic molecular dynamics (NAMD) simulations show that these anions not only eliminate trap states by disrupting the 5p-5p orbitals interaction of Sn atoms near IV, but also reduce the oscillation of key energy states and weaken nonadiabatic coupling (NAC). These effects collectively contribute to the extended lifetime of charge carriers. Notably, the charge carrier lifetime in the system passivated with H2PO2- is extended by more than 15 times. Consequently, the oxyacid anions are seen to synergistically enhance the performance of Sn-based PSCs.
Keyword ：
anti-oxidation anti-oxidation defect passivation defect passivation density functional theory calculations density functional theory calculations nonadiabatic molecular dynamics nonadiabatic molecular dynamics oxyacid anions oxyacid anions Tin-based perovskites Tin-based perovskites
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| GB/T 7714 | Lau, Guanghua , Xu, Hongli , Li, Yi et al. Theoretical Insight into the Oxyacid Anions Boost Tin-Based Perovskite Toward the Oxygen Contamination Avoidance and Charge Carrier Lifetime Extension [J]. | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
| MLA | Lau, Guanghua et al. "Theoretical Insight into the Oxyacid Anions Boost Tin-Based Perovskite Toward the Oxygen Contamination Avoidance and Charge Carrier Lifetime Extension" . | ADVANCED FUNCTIONAL MATERIALS (2025) . |
| APA | Lau, Guanghua , Xu, Hongli , Li, Yi , Ding, Kaining , Zhang, Yongfan , Lin, Wei . Theoretical Insight into the Oxyacid Anions Boost Tin-Based Perovskite Toward the Oxygen Contamination Avoidance and Charge Carrier Lifetime Extension . | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
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Lattice oxygen-mediated photocatalytic ethane dehydrogenation represents a sustainable strategy for ethylene production, yet achieving a balance between high productivity, selectivity, and durability remains challenging. Here, we report a defective NiO-300 catalyst, where precisely engineered Ni vacancies activate lattice oxygen by weakening Ni-O bond and improving lattice oxygen mobility. This promotes efficient ethane activation and C-H bonds cleavage through photoinduced hole capture, intensifying ethane dehydrogenation via a light-boosted Mars-van Krevelen mechanism. The NiO-300 catalyst manifests a high ethylene yield of 604.5 mu mol g-1 h-1 with 100% selectivity and stability over 200 cycles. In situ spectroscopic and theoretical studies elucidate the generation of active oxygen species, the evolution of Ni coordination, the formation of key intermediates, and the underlying photocatalytic mechanism. Our findings highlight cation vacancy engineering as a powerful tactic to fully activate lattice oxygen for solar-driven alkene production from alkane dehydrogenation over oxide photocatalysts.
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| GB/T 7714 | Wei, Fen , Zhao, Jiwu , Liu, Yu-Chun et al. Photocatalytic ethylene production over defective NiO through lattice oxygen participation [J]. | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
| MLA | Wei, Fen et al. "Photocatalytic ethylene production over defective NiO through lattice oxygen participation" . | NATURE COMMUNICATIONS 16 . 1 (2025) . |
| APA | Wei, Fen , Zhao, Jiwu , Liu, Yu-Chun , Hsu, Yung-Hsi , Hung, Sung-Fu , Fu, Junwen et al. Photocatalytic ethylene production over defective NiO through lattice oxygen participation . | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
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Covalent organic frameworks (COFs) have emerged as a compelling class of materials for active layers in memristors, yet the determinants of their electrical properties and effective tuning strategies remain elusive. Herein, the study unveils two novel pyrene-based COFs (Py-COFs)-the one-dimensional (1D) H-Py-BT COF and the two-dimensional (2D) Py-BT COF-crafted with structural kinship yet divergent dimensionalities via tailored pyrene monomer connectivity. The effect of structural and dimensional disparities on memristive device performance and image recognition precision is systematically investigated. Notably, the 1D H-Py-BT COF harnesses weak in-plane and interlayer hydrogen bonding interactions to enhance charge separation and promote directional electron transport. This unique configuration enables devices fabricated with the 1D H-Py-BT COF (101 nm thick) to deliver exceptional performance, evidenced by a high ON/OFF current ratio (approximate to 103.7) and an image recognition accuracy of 76%, outperforming those based on the 2D Py-BT COF. These findings underscore the pivotal role of COF dimensionality and molecular interactions in dictating device functionality, offering valuable insights for advancing COF-based memristive technologies.
Keyword ：
1D covalent organic framework 1D covalent organic framework intermolecular hydrogen bonding intermolecular hydrogen bonding memristors memristors neuromorphic computing neuromorphic computing synaptic mimicry synaptic mimicry
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| GB/T 7714 | Huang, Yuxing , Yang, Wanxiang , Zhou, Pan-Ke et al. Intermolecular Hydrogen-Bond Stabilized 1D Pyrene-Based Covalent Organic Framework for Advanced Memory Devices and Neuromorphic Computing [J]. | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
| MLA | Huang, Yuxing et al. "Intermolecular Hydrogen-Bond Stabilized 1D Pyrene-Based Covalent Organic Framework for Advanced Memory Devices and Neuromorphic Computing" . | ADVANCED FUNCTIONAL MATERIALS (2025) . |
| APA | Huang, Yuxing , Yang, Wanxiang , Zhou, Pan-Ke , Liu, Nengyi , Xu, Shumeng , Qiu, Jiawen et al. Intermolecular Hydrogen-Bond Stabilized 1D Pyrene-Based Covalent Organic Framework for Advanced Memory Devices and Neuromorphic Computing . | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
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Photocatalytic chemical transformations for green organic synthesis has attracted much interest. However, their development is greatly hampered by the lack of sufficient reactive sites on the photocatalyst surface for the adsorption and activation of substrate molecules. Herein, we demonstrate that the introduction of well-defined Lewis and Br & oslash;nsted acid sites coexisting on the surface of TiO2 (SO42-/N-TiO2) creates abundant active adsorption sites for photoredox reactions. The electron-deficient Lewis acid sites supply coordinatively unsaturated surface sites to adsorb molecular oxygen, and the Br & oslash;nsted acid sites are liable to donate protons to form hydrogen bonds with the OH groups of alcohols like benzyl alcohol (BA). These coexistent acid sites result in a strong synergistic effect in photocatalytic aerobic oxidation of BA. For example, the conversion of BA to benzaldehyde was found to be 88.6 %, being much higher than those of pristine TiO2 (14.7 %), N-doped TiO2 (N-TiO2, 24.6 %), sulfated TiO2 (SO42-/ TiO2, 35.4 %), and even their sum. The apparent quantum efficiency (AQE) was determined to be 58.1 % at 365 nm and 12.9 % at 420 nm over SO42-/N-TiO2. This strategy to create effective synergistic Lewis and Br & oslash;nsted acids on the catalyst surfaces enables us to apply it to other semiconducting photocatalytic organic transformations.
Keyword ：
br & oslash;nsted acids br & oslash;nsted acids heterogeneous catalysis heterogeneous catalysis lewis acids lewis acids oxidation oxidation photocatalysis photocatalysis
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| GB/T 7714 | Yu, Dexi , Zou, Junhua , Zeng, Lingdong et al. Lewis and Brønsted Acids Synergy in Photocatalytic Aerobic Alcohol Oxidations [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (15) . |
| MLA | Yu, Dexi et al. "Lewis and Brønsted Acids Synergy in Photocatalytic Aerobic Alcohol Oxidations" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 15 (2025) . |
| APA | Yu, Dexi , Zou, Junhua , Zeng, Lingdong , Hou, Yidong , Lin, Wei , Wu, Ling et al. Lewis and Brønsted Acids Synergy in Photocatalytic Aerobic Alcohol Oxidations . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (15) . |
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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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Stacking order critically influences the optoelectronic properties of 2D van der Waals materials. Here, first-principles calculations were performed to study the geometries, band structures, and second-harmonic generation (SHG) of hexagonal boron nitride (h-BN) bilayers constructed by the relative shifts and rotations between h-BN layers. Our results indicate that the stability, interlayer coupling, and band structures of h-BN bilayers are sensitive to the stacking orders. For interlayer sliding, the direction and size of lateral displacement obviously affect the band gap and components at the band edge. By contrast, the band structure of twisted h-BN bilayers is highly angle-dependent, and when the sum of twist angles in two moire superlattices is 60 degrees, they have similar band structures due to identical band folding. As for the second-order susceptibility, interlayer sliding tends to enhance the SHG intensity compared to that of the original AA stacking. When the incident angle of the pump light deviates from the normal direction of the h-BN bilayer, the change in lattice symmetry induced by interlayer sliding results in distinct variations in SHG patterns, thereby facilitating identification of the corresponding structures through polarization-resolved SHG spectroscopy. For twisted configurations, as the rotation angle increases from 0 to 60 degrees, the evolution of SHG intensity departs significantly from the coherent superposition model due to the strong exciton effects in h-BN bilayers. Although the interlayer rotation preserves the SHG polarization image, the experimental measurement of relative SHG intensity enables the determination of the rotation angle, which allows for distinguishing structures of twisted h-BN bilayers.
Keyword ：
band structure band structure first-principlescalculation first-principlescalculation hexagonal boron nitride (h-BN) hexagonal boron nitride (h-BN) second-harmonic generation second-harmonic generation stacking order stacking order
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| GB/T 7714 | Ma, Honglin , Yang, Chen , Ni, Bilian et al. Artificial Stacking Dependences of Band Structures and Second-Harmonic Generations in Bilayer Hexagonal Boron Nitride [J]. | ACS NANO , 2025 , 19 (17) : 16569-16583 . |
| MLA | Ma, Honglin et al. "Artificial Stacking Dependences of Band Structures and Second-Harmonic Generations in Bilayer Hexagonal Boron Nitride" . | ACS NANO 19 . 17 (2025) : 16569-16583 . |
| APA | Ma, Honglin , Yang, Chen , Ni, Bilian , Li, Yi , Huang, Shuping , Lin, Wei et al. Artificial Stacking Dependences of Band Structures and Second-Harmonic Generations in Bilayer Hexagonal Boron Nitride . | ACS NANO , 2025 , 19 (17) , 16569-16583 . |
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Polymeric carbon nitride (PCN, also called melon) was a potential photocatalyst for the CO2 reduction reaction (CO2RR), but the conjugation of the system inhibited the efficiency. By modifying melon with non-metal elements such as boron (B), phosphorus (P), oxygen (O), and sulfur (S), we found that S (or O) doped melon (S/melon, O/melon) transformed the reactive site of pyridine nitrogen (N) to carbon (C), which promoted COOH* hydrogenation to CO* and, thus, improved the CO2 reactivity and CO selectivity significantly. In addition, nonadiabatic molecular dynamics simulations showed that the trap states of the O/melon and S/melon can rapidly capture excited electrons to participate in the CO2RR and improve the photocatalytic reaction efficiency. This work provided theoretical insight for the design of efficient CO2RR photocatalysts based on metal-free materials.
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| GB/T 7714 | Kong, Yuehua , Ye, Junlin , Ding, Kaining et al. Reactive Site Transformation in Non-Metal Doped Polymeric Carbon Nitride Improving CO2 Photoreduction Efficiency [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 , 16 (20) : 4869-4874 . |
| MLA | Kong, Yuehua et al. "Reactive Site Transformation in Non-Metal Doped Polymeric Carbon Nitride Improving CO2 Photoreduction Efficiency" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 16 . 20 (2025) : 4869-4874 . |
| APA | Kong, Yuehua , Ye, Junlin , Ding, Kaining , Lin, Wei . Reactive Site Transformation in Non-Metal Doped Polymeric Carbon Nitride Improving CO2 Photoreduction Efficiency . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 , 16 (20) , 4869-4874 . |
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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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Photocatalytic CO2 reduction reaction (CO2RR) is an effective pathway for high value-added chemicals. Poly (triazine imides) (PTI) have a great potential for photocatalytic CO2RR due to its high crystallinity. We have codoped PTI with nonmetals B and S, in which the charge compensation between B and S forms a shallow "donor-acceptor pair". The charge compensation effect regulates the polarity of Lewis acid-base pairs so that more electrons localize in the pyridine N, which facilitates the CO2 hydrogenation and improves both the activity and the selectivity of CO2RR to CO. Furthermore, the hydrogen source of the reaction is the adsorbed H* rather than the substrate H from PTI. Through the nonadiabatic molecular dynamics simulations, although B and S codoping PTI (B-S1/PTI) has a larger nonadiabatic coupling and a narrower energy gap than B doping PTI (B/PTI), a fast decoherence rate prolongs the nonradiative recombination time and carrier lifetime of B-S1/PTI, which improves its catalytic efficiency of CO2RR. This work reveals that the charge compensation effect of nonmetals enhances the photocatalytic CO2RR performance and prolongs the charge carrier lifetime.
Keyword ：
Charge carrier lifetime Charge carrier lifetime Charge compensation Charge compensation CO 2 reduction reaction CO 2 reduction reaction Nonadiabatic molecular dynamics Nonadiabatic molecular dynamics
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| GB/T 7714 | Kong, Yuehua , Ye, Junlin , Ding, Kaining et al. Charge Compensation Promotes Reaction Activity, CO Selectivity, and Charge Carrier Lifetime of CO2 Photoreduction on Crystalline Carbon Nitride [J]. | APPLIED SURFACE SCIENCE , 2025 , 690 . |
| MLA | Kong, Yuehua et al. "Charge Compensation Promotes Reaction Activity, CO Selectivity, and Charge Carrier Lifetime of CO2 Photoreduction on Crystalline Carbon Nitride" . | APPLIED SURFACE SCIENCE 690 (2025) . |
| APA | Kong, Yuehua , Ye, Junlin , Ding, Kaining , Lin, Wei . Charge Compensation Promotes Reaction Activity, CO Selectivity, and Charge Carrier Lifetime of CO2 Photoreduction on Crystalline Carbon Nitride . | APPLIED SURFACE SCIENCE , 2025 , 690 . |
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Kinetic factors frequently emerge as the primary constraints in photocatalysis, exerting a critical influence on the efficacy of polymeric photocatalysts. The diverse conjugation systems within covalent organic frameworks (COFs) can significantly impact photon absorption, energy level structures, charge separation and migration kinetics. Consequently, these limitations often manifest as unsatisfactory kinetic behavior, which adversely affects the photocatalytic activity of COFs. To address these challenges, we propose a methoxy (-OMe) molecular engineering strategy designed to enhance charge carrier kinetics and mitigate mass transfer resistance. Through strategic modulation of the position and quantity of -OMe units, we can effectively manipulate the p-pi conjugation, thereby enhancing charge separation and migration. Moreover, COFs enriched with -OMe moieties exhibit enhanced mass transfer dynamics due to the hydrophilic nature of methoxy groups, which facilitate the diffusion of reactants and products within the porous structure. This approach is hypothesized to drive an efficient photocatalytic hydrogen evolution reaction.
Keyword ：
Charge separation Charge separation Covalent Organic Framework Covalent Organic Framework Hydrogen evolution Hydrogen evolution Photocatalysis Photocatalysis p-pi resonance effect p-pi resonance effect
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| GB/T 7714 | Luo, Zhipeng , Zhu, Shipeng , Xue, Huanglan et al. Manipulating p-π Resonance through Methoxy Group Engineering in Covalent Organic Frameworks for an Efficient Photocatalytic Hydrogen Evolution [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (6) . |
| MLA | Luo, Zhipeng et al. "Manipulating p-π Resonance through Methoxy Group Engineering in Covalent Organic Frameworks for an Efficient Photocatalytic Hydrogen Evolution" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 6 (2025) . |
| APA | Luo, Zhipeng , Zhu, Shipeng , Xue, Huanglan , Yang, Wanxiang , Zhang, Fengtao , Xu, Fei et al. Manipulating p-π Resonance through Methoxy Group Engineering in Covalent Organic Frameworks for an Efficient Photocatalytic Hydrogen Evolution . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (6) . |
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