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学者姓名：黄淑萍
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Photodynamic immunotherapy (PIT) has emerged as a promising approach for efficient eradication of primary tumors and inhibition of tumor metastasis. However, most of photosensitizers (PSs) for PIT exhibit notable oxygen dependence. Herein, a concept emphasizing on transition from molecular PSs into semiconductor-like photocatalysts is proposed, which converts the PSs from type II photoreaction to efficient type I photoreaction. Detailed mechanism studies reveal that the nanostructured phthalocyanine aggregate (NanoNMe) generates radical ion pairs through a photoinduced symmetry breaking charge separation process, achieving charge separation through a self-substrate approach and leading to exceptional photocatalytic charge transfer activity. Additionally, a reformed phthalocyanine aggregate (NanoNMO) is fabricated to improve the stability in physiological environments. NanoNMO showcases significant photocytotoxicities under both normoxic and hypoxic conditions and exhibits remarkable tumor targeting ability. Notably, the NanoNMO-based photodynamic therapy and PD-1 checkpoint inhibitor-based immunotherapy synergistically triggers the infiltration of cytotoxic T lymphocytes into the tumor sites of female mice, leading to the effective inhibition of breast tumor growth.
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| GB/T 7714 | Liu, Hao , Li, Ziqing , Zhang, Xiaojun et al. Phthalocyanine aggregates as semiconductor-like photocatalysts for hypoxic-tumor photodynamic immunotherapy [J]. | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
| MLA | Liu, Hao et al. "Phthalocyanine aggregates as semiconductor-like photocatalysts for hypoxic-tumor photodynamic immunotherapy" . | NATURE COMMUNICATIONS 16 . 1 (2025) . |
| APA | Liu, Hao , Li, Ziqing , Zhang, Xiaojun , Xu, Yihui , Tang, Guoyan , Wang, Zhaoxin et al. Phthalocyanine aggregates as semiconductor-like photocatalysts for hypoxic-tumor photodynamic immunotherapy . | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
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The atomic-scale mechanisms by which intrinsic defects influence charge carrier dynamics in monolayer MoSi2N4 remain poorly understood in current studies of this emerging two-dimensional material. By combining first-principles density functional theory (DFT) and ab initio nonadiabatic molecular dynamics (NAMD) simulations, we investigated the static properties and carrier dynamics of MoSi2N4 monolayers with and without intrinsic defects. MoSi2N4 reveals strong band dispersion near the conduction band minimum, with weak coupling between the K-valley states and other states, leading to delayed electron relaxation and suppressed energy dissipation. Notably, the MoSi defect (Mo substituting Si) induces a pronounced spin-polarized lifetime contrast, where spin-down carriers exhibit extended lifetimes in comparison to those in pristine MoSi2N4. In contrast, an internal N vacancy introduces deep defect states that significantly accelerate electron-hole recombination. The SiMo defect (Si substituting Mo) contributes negligibly to defect-assisted recombination. These findings provide new insights for designing high-performance MoSi2N4-based optoelectronic and nanoelectronic devices.
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| GB/T 7714 | You, Chenyi , Gao, Jingkui , Liu, Bao et al. Atomic-Scale Modulation of Charge Carrier Dynamics by Intrinsic Defects in Monolayer MoSi2N4 [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 . |
| MLA | You, Chenyi et al. "Atomic-Scale Modulation of Charge Carrier Dynamics by Intrinsic Defects in Monolayer MoSi2N4" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2025) . |
| APA | You, Chenyi , Gao, Jingkui , Liu, Bao , Huang, Shuping . Atomic-Scale Modulation of Charge Carrier Dynamics by Intrinsic Defects in Monolayer MoSi2N4 . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 . |
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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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Double-perovskite-type near-infrared (NIR) phosphors have emerged as a desirable research hotspot, benefiting from the B/B'O6 coordinations suitable for Cr3+ luminescence. However, NIR efficiency and thermostability maintain challenging. Meanwhile, the precise identification of the Cr3+ occupancy appears to be particularly important due to the abundant cation sites in double-perovskite structure. Herein, this research reported a Cr3+activated A2BB'O6 (Ca2AlTaO6) NIR phosphor with high luminescence heat-resistance (94 %@423 K). Under 444 nm excitation, Ca2AlTaO6:1.2 %Cr3+ exhibits sharp emission originating from the 2Eg -> 4A2 transition of Cr3+. The visualized proof provided by aberration-corrected transmission electron microscopy and spectral analysis confirm that Cr3+ simultaneously occupies [BO6] and [B'O6] sites. Moreover, the B site regulation by Ga3+ boosts luminescent efficiency 1.5 times. The Ca2Al0.8Ga0.2TaO6:1.2 %Cr3+-converted NIR LED device demonstrates stable photoelectric performance under high current over an extended period. Subsequently, the fascinating material is successfully demonstrated via the multifunctional applications in non-destructive detection, night vision, and plant growth lighting. This work provides valuable insights for constructing better doubleperovskite-type NIR-emitting materials.
Keyword ：
Double-perovskite Double-perovskite Night vision Night vision NIR phosphor NIR phosphor Non-destructive detection Non-destructive detection Plant growth lighting Plant growth lighting
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| GB/T 7714 | Li, Hong , Niu, Yingfan , Haider, Asif Ali et al. Remarkable role of B site regulation on a highly heat-resistant double-perovskite phosphor with versatile NIR utilizations [J]. | CHEMICAL ENGINEERING JOURNAL , 2025 , 510 . |
| MLA | Li, Hong et al. "Remarkable role of B site regulation on a highly heat-resistant double-perovskite phosphor with versatile NIR utilizations" . | CHEMICAL ENGINEERING JOURNAL 510 (2025) . |
| APA | Li, Hong , Niu, Yingfan , Haider, Asif Ali , Liu, Conglin , You, Chenyi , Zhang, Hongzhi et al. Remarkable role of B site regulation on a highly heat-resistant double-perovskite phosphor with versatile NIR utilizations . | CHEMICAL ENGINEERING JOURNAL , 2025 , 510 . |
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Under the background of surging global demand for batteries and scarcity of Li resources, sodium-ion batteries (SIBs) are attracting attention as a potential alternative with their unique advantages, and the layered transition metal (TM) oxides therein are considered to be one of the most promising cathode materials. In this paper, firstly, the diversity of cathode materials for SIBs is systematically introduced, as well as the layered oxide structures among them are categorized, and then it focuses on the O3-type sodium-rich Na2MO3, which is promising for large-scale commercial applications, illustrating the development and mechanism of anion redox. Excess Na transforms the TM layer into the mixed Na1/3M2/3O2 layer, leading to the formation of localized configuration Na-O-Na. Thereby, isolated nonhybridized O 2p states are introduced, which participate in the charge compensation process (O2-/On-) under high-voltage conditions and provide the battery with additional capacity beyond the cation redox reaction. Therefore, the Na2MO3 formed by its TM element located in different periods are classified, discussed and summarized in terms of structural change characteristics, electrochemical properties and anion-redox mechanism. However, this particular redox mechanism is also accompanied by the challenges such as voltage hysteresis, irreversible oxygen loss, TM migration, capacity decay and poor air stability. Therefore, to address these challenges, various improvement strategies have been proposed, including doping of large radius metal ions, light metal ions, TM ions with high covalency with O, nonmetal ions, formation of mixed phases, and surface modification. This work is expected to provide new ways to find and design novel high-capacity Na-rich layered oxide cathode materials.
Keyword ：
anionic redox anionic redox cathode Material cathode Material layered oxide layered oxide sodium-ion batteries sodium-ion batteries
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| GB/T 7714 | Yin, Junjun , Huang, Shuping . Progress of anion redox in Na-rich layered transition metal oxides (Na2MO3) as cathode materials for sodium-ion batteries [J]. | JOURNAL OF PHYSICS-CONDENSED MATTER , 2025 , 37 (11) . |
| MLA | Yin, Junjun et al. "Progress of anion redox in Na-rich layered transition metal oxides (Na2MO3) as cathode materials for sodium-ion batteries" . | JOURNAL OF PHYSICS-CONDENSED MATTER 37 . 11 (2025) . |
| APA | Yin, Junjun , Huang, Shuping . Progress of anion redox in Na-rich layered transition metal oxides (Na2MO3) as cathode materials for sodium-ion batteries . | JOURNAL OF PHYSICS-CONDENSED MATTER , 2025 , 37 (11) . |
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The oxidative dehydrogenation of propane (ODHP) represents a highly promising route for the industrial-scale production of propene. Non-metallic boron nitride (BN)-based materials, known for their high propene selectivity, have emerged as next-generation ODH catalysts. However, the real active sites on surfaces remain unclear due to the absence of visual experimental evidence. In this work, we introduce a chemical titration approach to clarify the active centers of NaOH modified BN (BN-NaOH) catalysts for ODHP. The BN-NaOH catalyst demonstrates outstanding performance, achieving over 90 % olefin selectivity and a stable propane conversion of 23.2 %. Notably, the turnover frequency (TOF) for B-OH sites reaching 1.2 h- 1, which significantly surpassed that of unmodified BN catalysts (0.6 h- 1). In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis revealed that the formation of OH-nests on the BN-NaOH surface was primarily accountable for the enhanced reactivity. Moreover, the crucial role of these OH-nests during ODHP was further validated through selective chemical titration of B-OH groups using benzoic anhydride.
Keyword ：
Active sites Active sites Boron hydroxyl group Boron hydroxyl group In situ DRIFTS In situ DRIFTS Oxidative dehydrogenation of propane Oxidative dehydrogenation of propane
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| GB/T 7714 | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis [J]. | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
| MLA | Duan, Qiwei et al. "Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis" . | CHEMICAL ENGINEERING SCIENCE 306 (2025) . |
| APA | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue , Huang, Shuping , Chen, Ziyi , Yu, Kaihua et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis . | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
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Within the family of halide solid electrolytes (SEs), Li2ZrCl6 demonstrates high oxidative stability, cost-effectiveness, and mechanical deformability, positioning it as a promising candidate for SEs. However, the application of Li2ZrCl6 as a SEs was hindered by its low ionic conductivity at room temperature. Current strategies to enhance the ionic conductivity of Li2ZrCl6 primarily are focused on single cation or anion sublattice-engineering, each with distinct advantages and limitations. Here, we propose a novel cation and anion-sublattice-engineering strategy, termed CASE, to increase the amorphous content and thus enhance ionic conductivity. The incorporation of Cu2+ and O2- induces distinctive structural modifications within Li2ZrCl6. This structure corroborated through analytic data of X-ray absorption spectroscopy, the neutron diffraction, and ab initio molecular dynamics. Consequently, the amorphous Li2.1Zr0.95Cu0.05Cl4.4O0.8 achieves an enhanced ionic conductivity of 2.05 mS cm-1 at 25 degrees C. Furthermore, all-solid-state lithium batteries utilizing the amorphous Li2.1Zr0.95Cu0.05Cl4.4O0.8 as an electrolyte and LiNi0.83Co0.11Mn0.06O2 as a cathode exhibit a superior long-term cycling stability retaining 90.3% of capacity after 1000 cycles at 2 C under room temperature, which are much higher than those of Zr-based halide electrolytes in publications. Such a result might stimulate the development of more amorphous structures with high ionic conductivity in the CASE strategy.
Keyword ：
Cation-anion sublattice engineering Cation-anion sublattice engineering Electrochemical property Electrochemical property Halide solid electrolytes Halide solid electrolytes Ionic conductivity all-solid-state lithium batteries Ionic conductivity all-solid-state lithium batteries
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| GB/T 7714 | Li, Zongnan , Mu, Yongbiao , Lu, Kunxi et al. Cation-Anion-Engineering Modified Oxychloride Zr-Based Lithium Superionic Conductors for All-Solid-State Lithium Batteries [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (23) . |
| MLA | Li, Zongnan et al. "Cation-Anion-Engineering Modified Oxychloride Zr-Based Lithium Superionic Conductors for All-Solid-State Lithium Batteries" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 23 (2025) . |
| APA | Li, Zongnan , Mu, Yongbiao , Lu, Kunxi , Kang, Guojian , Yang, Ting , Huang, Shuping et al. Cation-Anion-Engineering Modified Oxychloride Zr-Based Lithium Superionic Conductors for All-Solid-State Lithium Batteries . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (23) . |
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Inorganic mixed-halogen perovskites exhibit excellent photovoltaic properties and stability; yet, their photoelectric conversion efficiency is limited by inherent surface defects. In this work, we study the impact of defects on properties of CsPbI2Br slabs using first-principles calculations, focusing on specific defects such as I vacancy (V-I), I interposition (I-i), and I substitution by Pb (Pb-I). Our findings reveal that these defects affect the geometric and optoelectronic properties as well as dynamics of charge carriers of slabs. We employ two theoretical frameworks (surface hopping and Redfield theory) of nonadiabatic molecular dynamics simulations to comprehensively study relaxation processes and obtain consistent results. The presence of V-I reduces carrier lifetimes, while the influence of Pb-I on carrier lifetimes is negligible. In contrast, I-i defects lead to prolonged carrier lifetimes. These insights provide valuable guidance for the rational design of perovskite photovoltaic devices, aiming to enhance their efficiency and stability.
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| GB/T 7714 | Liu, Bao , Wang, Zhaoxin , Huang, Shuping et al. Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2024 , 15 (18) : 4782-4791 . |
| MLA | Liu, Bao et al. "Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 15 . 18 (2024) : 4782-4791 . |
| APA | Liu, Bao , Wang, Zhaoxin , Huang, Shuping , Han, Yulun , Kilin, Dmitri S. . Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2024 , 15 (18) , 4782-4791 . |
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Cr3+ doped garnet-type (A(3)B(2)C(3)O(12)) near-infrared (NIR) phosphors is a desirable research hotspot due to their prospective night vision, bioimaging, and plant growth utilizations. Meanwhile, the origin of multisite broad emission is yet a controversial topic. To resolve the trouble, verifying accurately the multiple Cr3+ occupancy sites is a key. Furthermore, it is an urgent need for improving the external quantum efficiency and luminescent thermostability. Herein, in Y3Sc2Al3O12 (YSAO), advanced electron microscopy technique is employed to directly confirm that the obtained broadband NIR emission originates from Cr3+ in [ScO6] octahedral and [YO8] dodecahedral sites. The optimal YSAO:5%Cr3+ sample exhibits high quantum efficiency (IQE/EQE = 74/31%) and near-zero thermal quenching (97%@423 K and 92%@473 K). The theoretical calculations and experimental proofs reveal that YSAO possesses high structural rigidity and wide bandgap, which is responsible for the extremely thermostable luminescence. The high-power YSAO:5%Cr3+-converted NIR LED device shows promising multifunctional applications. This work not only provides an efficient NIR broadband phosphor with near-zero thermal quenching, but also provides an effective determination method for the multiple emitting centers of phosphor materials.
Keyword ：
garnet garnet multiple occupancy sites of Cr3+ multiple occupancy sites of Cr3+ near-zero thermal quenching near-zero thermal quenching NIR pc-LED NIR pc-LED NIR phosphors NIR phosphors
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| GB/T 7714 | Li, Hong , Jiao, Jingkai , Xiang, Xianfeng et al. Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor [J]. | ADVANCED OPTICAL MATERIALS , 2024 , 12 (11) . |
| MLA | Li, Hong et al. "Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor" . | ADVANCED OPTICAL MATERIALS 12 . 11 (2024) . |
| APA | Li, Hong , Jiao, Jingkai , Xiang, Xianfeng , Wu, Jianze , Hu, Wanbiao , Xie, Jiyang et al. Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor . | ADVANCED OPTICAL MATERIALS , 2024 , 12 (11) . |
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Electroactive asymmetric bis-carbazole small molecules bearing cyano functional group(s) were conveniently synthesized and fully characterized by physicochemical and electrochemical methods. These carbazole-based small molecules are colorless in the neutral states and possess reversible redox processes and outstanding thermal stability. The utilization of these bis-carbazole small molecules as the electrochromic materials for the fabrication of electrochromic devices (ECDs) provided high-performance ECDs of high optical contrast up to 99% switching between colorless bleaching state and dark-red colored state and excellent coloration efficiencies of 412 cm2/C. The present work illuminates the excellent qualification of functionalized carbazole-based small molecules in developing efficient ECDs.
Keyword ：
Carbazole derivatives Carbazole derivatives Cyano functionalization Cyano functionalization Electrochromic devices Electrochromic devices Electrochromism Electrochromism Smart windows Smart windows
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| GB/T 7714 | Li, Meng -Die , Zhang, Ying-Hui , Yin, Junjun et al. Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism [J]. | DYES AND PIGMENTS , 2024 , 226 . |
| MLA | Li, Meng -Die et al. "Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism" . | DYES AND PIGMENTS 226 (2024) . |
| APA | Li, Meng -Die , Zhang, Ying-Hui , Yin, Junjun , Huang, Shuping , Dai, Feng-Rong , Chen, Zhong-Ning . Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism . | DYES AND PIGMENTS , 2024 , 226 . |
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