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学者姓名：温翠莲
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Metallic 1T Molybdenum disulfide (1T-MoS2) exhibits enhanced full spectral light absorption and prominent electrical conductivity, making it ideal for photothermal applications in conjunction with Ti3C2TX MXene. Despite the challenges in increasing the 1T-MoS2 proportion within MoS2/Ti3C2TX heterostructures and the incomplete understanding of the mechanisms governing their formation and properties, herein, a combined theoretical and experimental framework has been established, suggesting that the metallic characteristics of Ti3C2TX and 1T-MoS2 could significantly improve photothermal performance through strong interlayer interactions and efficient electron transport. The hierarchical MoS2/Ti3C2TX heterostructure has been fabricated through a one-step hydrothermal synthesis method with enhanced 1T-MoS2 proportion, which achieves multilayered wrinkled architecture resulting from the in-situ growth of MoS2 on Ti3C2TX nanosheets. Notably, a remarkable peak photoheating temperature of 107 degrees C under an 808 nm laser with an intensity of 0.5 Wcm-2 is realized, demonstrating its exceptional photothermal conversion capability. By incorporated into a polyvinylidene difluoride membrane, the MoS2/Ti3C2TX heterostructure functions as an efficient self floating solar-driven steam generator, reaching an evaporation rate of 1.79 kgm-2h-1 and an evaporation efficiency of 96.4% under one solar irradiance. This study proposes a versatile strategy for the MoS2/Ti3C2TX heterostructure, offering the potential for sustainable solar-driven vapor generation technologies.
Keyword ：
Heterostructure Heterostructure Molybdenum disulfide Molybdenum disulfide MXene MXene Photothermal conversion Photothermal conversion Solar-driven vapor generation Solar-driven vapor generation
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| GB/T 7714 | Rong, Kun , Wen, Cuilian , Wen, Jiansen et al. Hierarchical MoS2/Ti3C2TX heterostructure with excellent photothermal conversion performance for solar-driven vapor generation [J]. | ACTA PHYSICO-CHIMICA SINICA , 2025 , 41 (6) . |
| MLA | Rong, Kun et al. "Hierarchical MoS2/Ti3C2TX heterostructure with excellent photothermal conversion performance for solar-driven vapor generation" . | ACTA PHYSICO-CHIMICA SINICA 41 . 6 (2025) . |
| APA | Rong, Kun , Wen, Cuilian , Wen, Jiansen , Li, Xiong , Liao, Qiugang , Yan, Siqing et al. Hierarchical MoS2/Ti3C2TX heterostructure with excellent photothermal conversion performance for solar-driven vapor generation . | ACTA PHYSICO-CHIMICA SINICA , 2025 , 41 (6) . |
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Two-dimensional (2D) group III-IV-VI semiconductors show great potential for application in energy conversion fields. Herein, using density functional theory (DFT) calculations in conjunction with nonadiabatic molecular dynamics (NAMD) simulations and the nonequilibrium Green's function (NEGF) method, the photovoltaic performance of MGeSe (M = Ga and In) monolayers is systematically investigated. The MGeSe monolayers exhibit direct band gap semiconductor characteristics with strong optical absorption in the visible light region. Notably, the exciton binding energies and carrier lifetimes of GaGeSe (InGeSe) are 0.49 eV (0.50 eV) and 0.20 ns (2.82 ns), respectively, indicating efficient exciton dissociation and charge transport. Moreover, the maximum photocurrent and photoresponsivity of InGeSe reach 19.4 A/m2 and 0.39 A/W, highlighting its potential for high-efficiency photovoltaic applications. These findings provide valuable insights into the photovoltaic behavior of MGeSe monolayers and offer theoretical guidance for the design of next-generation 2D photovoltaic materials.
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| GB/T 7714 | Xiong, Rui , Zeng, Fanghua , Cui, Zhou et al. Two-Dimensional MGeSe: Promising Photovoltaic Materials with Long Carrier Lifetime and High Photocurrent [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 , 16 (35) : 9070-9077 . |
| MLA | Xiong, Rui et al. "Two-Dimensional MGeSe: Promising Photovoltaic Materials with Long Carrier Lifetime and High Photocurrent" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 16 . 35 (2025) : 9070-9077 . |
| APA | Xiong, Rui , Zeng, Fanghua , Cui, Zhou , Wen, Cuilian , Sa, Baisheng , Yang, Can . Two-Dimensional MGeSe: Promising Photovoltaic Materials with Long Carrier Lifetime and High Photocurrent . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 , 16 (35) , 9070-9077 . |
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| GB/T 7714 | Chen, Rong , Weng, Liangji , Zhang, Chubo et al. "The influence of site preference on the elastic properties of FCC_CoCrFeNi multi-principal element alloy" (vol 965, 171426, 2023) [J]. | JOURNAL OF ALLOYS AND COMPOUNDS , 2025 , 1012 . |
| MLA | Chen, Rong et al. ""The influence of site preference on the elastic properties of FCC_CoCrFeNi multi-principal element alloy" (vol 965, 171426, 2023)" . | JOURNAL OF ALLOYS AND COMPOUNDS 1012 (2025) . |
| APA | Chen, Rong , Weng, Liangji , Zhang, Chubo , Zhao, Panhong , Su, Longju , Xie, Tianliang et al. "The influence of site preference on the elastic properties of FCC_CoCrFeNi multi-principal element alloy" (vol 965, 171426, 2023) . | JOURNAL OF ALLOYS AND COMPOUNDS , 2025 , 1012 . |
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Solar-driven reaction technology offers a promising route to clean energy generation and sustainable development. Despite significant advancements in photocatalysts and photothermal materials, challenges remain in device structural design, including insufficient light utilization, slow water transport, and inefficient gas separation. Here, we design a floatable cellulose nanofiber aerogel featuring a gradient-structured directional porous architecture to address these challenges. The designed aerogel integrates multiple structural features, including a bottom layer with large directional channels for rapid water transport, a top functional floatable layer with small directional channels for enhanced gas separation and active material loading, and a micron-scale embossed surface structure to maximize light utilization. As a result, the photocatalytic aerogels achieved a high hydrogen generation rate of 60.7 mmol m-2 h-1, significantly outperforming the conventional thin-film photocatalytic platforms. Meanwhile, the photothermal aerogels exhibited a high water evaporation rate of 1.62 kg m-2 h-1 with excellent salt-resistance capability, and a high freshwater collection rate of 1.65 mL m-2 h-1 under outdoor field-scale conditions. This study demonstrates a novel and scalable strategy for developing high-efficiency solar-driven reaction platforms, with strong potential for future industrial applications.
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| GB/T 7714 | Shi, Changsong , Zheng, Rongtao , Yue, Yihe et al. Gradient-structured directional porous floatable aerogels for effective solar-driven hydrogen production and steam generation [J]. | NANOSCALE HORIZONS , 2025 . |
| MLA | Shi, Changsong et al. "Gradient-structured directional porous floatable aerogels for effective solar-driven hydrogen production and steam generation" . | NANOSCALE HORIZONS (2025) . |
| APA | Shi, Changsong , Zheng, Rongtao , Yue, Yihe , Wu, Mingliang , Li, Pengfei , Fan, Linfeng et al. Gradient-structured directional porous floatable aerogels for effective solar-driven hydrogen production and steam generation . | NANOSCALE HORIZONS , 2025 . |
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Valleytronics, utilizing the valley degree of freedom in electrons, has potential for advancing the next-generation nonvolatile storage. However, practical implementation remains challenging due to the limited control over valleytronic properties. Here, we propose ferroelectric HfCl2/Sc2CO2 van der Waals heterostructure as a platform to overcome these limitations, enabling tunable and nonvolatile valleytronic behaviors. Our findings show that the electric polarization state of the Sc2CO2 monolayer governs the electronic properties of heterostructures. Positive polarization induces a direct gap at the valleys, enabling valleytronic functionality for excitation and readout via circularly polarized light, while negative polarization results in an indirect-gap, suppressing valleytronic behavior. Moreover, our transport simulations further demonstrate a polarization-dependent ferroelectric p-i-n junction with 8 nm possesses a maximum tunnel electroresistance (TER) ratio of 1.60 x 10(8)% at a bias of 0.5 eV. These results provide insights into ferroelectric-controlled valleytronic transitions and position the HfCl2/Sc2CO2 heterostructure as a promising candidate for energy-efficient valleytronic memory and nonvolatile storage applications.
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| GB/T 7714 | Cui, Zhou , Duan, Xunkai , Wen, Jiansen et al. Ferroelectric control of valleytronic nonvolatile storage in HfCl2/Sc2CO2 heterostructure [J]. | APPLIED PHYSICS LETTERS , 2025 , 126 (12) . |
| MLA | Cui, Zhou et al. "Ferroelectric control of valleytronic nonvolatile storage in HfCl2/Sc2CO2 heterostructure" . | APPLIED PHYSICS LETTERS 126 . 12 (2025) . |
| APA | Cui, Zhou , Duan, Xunkai , Wen, Jiansen , Zhu, Ziye , Zhang, Jiayong , Pei, Jiajie et al. Ferroelectric control of valleytronic nonvolatile storage in HfCl2/Sc2CO2 heterostructure . | APPLIED PHYSICS LETTERS , 2025 , 126 (12) . |
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Integrating two-dimensional (2D) ferroelectric materials into van der Waals (vdW) heterostructures for photocatalytic water splitting provides new opportunities to solve the energy crisis and environmental pollution. However, the effect of polarization reversal in the ferroelectric layer of ferroelectric-based heterostructures on the photocatalytic mechanism is still unclear. Herein, utilizing density functional theory alongside non-adiabatic molecular dynamics (NAMD) simulations, the photocatalytic mechanism of the As/In2Se3 vdW heterostructure is systematically investigated. The NAMD results revealed that the photo-generated charge carrier transfer pathway of the As/In2Se3 heterostructure follows the typical type-II pathway, irrespective of the polarization states of the In2Se3 layer. The ultrafast interlayer photo-generated hole transfer in As/In2Se3-P up arrow and electron transfer in As/In2Se3-P down arrow ensure efficient charge transport, thereby enhancing the utilization efficiency of carriers. Interestingly, by adjusting the polarization direction of the In2Se3 layer, the As/In2Se3-P up arrow and As/In2Se3-P down arrow can be employed for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), respectively. In addition, introducing P doping can significantly reduce the overpotential of the HER using As/In2Se3-P down arrow. These results provide a new insight into the photo-generated charge carrier transfer pathway of 2D ferroelectric-based vdW heterostructures.
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| GB/T 7714 | Xiong, Rui , Zhang, Lili , Wen, Cuilian et al. Ferroelectric switching driven photocatalytic overall water splitting in the As/In2Se3 heterostructure [J]. | JOURNAL OF MATERIALS CHEMISTRY A , 2025 , 13 (6) : 4563-4575 . |
| MLA | Xiong, Rui et al. "Ferroelectric switching driven photocatalytic overall water splitting in the As/In2Se3 heterostructure" . | JOURNAL OF MATERIALS CHEMISTRY A 13 . 6 (2025) : 4563-4575 . |
| APA | Xiong, Rui , Zhang, Lili , Wen, Cuilian , Anpo, Masakazu , Ang, Yee Sin , Sa, Baisheng . Ferroelectric switching driven photocatalytic overall water splitting in the As/In2Se3 heterostructure . | JOURNAL OF MATERIALS CHEMISTRY A , 2025 , 13 (6) , 4563-4575 . |
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Localized high-concentration electrolytes (LHCEs) offer a new methodology to improve the functionality of conventional electrolytes. Understanding the impact of antisolvents on bulk electrolytes is critical to the construction of sophisticated LHCEs. However, the mechanism of how antisolvent modulates the electrochemical reactivity of the solvation structure in LHCEs remains unclear. In this work, the key correlation between the physicochemical properties of antisolvents and their corresponding Lithium-ion battery (LIBs) systems has been elucidated by comprehensive multiscale theoretical simulations combined with experimental characterizations. Nine antisolvents (chain ethers and cyclic non-ethers) are investigated in a typical lithium bis(fluorosulfonyl) imide/1,2-dimethoxymethane (LiFSI/DME) system. It is highlighted that the relative molecular masses of anti- solvents in the same class are positively correlated with the density. The viscosity of a liquid mixture consisting of DME and antisolvent in the same class is positively correlated with the magnitude of the interaction energy between them. Additionally, the self-diffusion coefficient of Li+ is also positively correlated with the sum of the interaction energies between Li+-DME and Li+-FSI-, which is also affected by the class of antisolvent. These results provide deep insights into the behavior and properties of LHCEs, which help to advance the design of high-performance LIBs.
Keyword ：
Antisolvent Antisolvent Density functional theory Density functional theory Electrolyte Electrolyte Lithium battery Lithium battery Molecular dynamics Molecular dynamics
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| GB/T 7714 | Yang, Zhanlin , Hu, Guolin , Wang, Chenyu et al. Solvation layer effects on lithium migration in localized High-Concentration Electrolytes: Analyzing the diverse antisolvent Contributions [J]. | JOURNAL OF COLLOID AND INTERFACE SCIENCE , 2025 , 683 : 817-827 . |
| MLA | Yang, Zhanlin et al. "Solvation layer effects on lithium migration in localized High-Concentration Electrolytes: Analyzing the diverse antisolvent Contributions" . | JOURNAL OF COLLOID AND INTERFACE SCIENCE 683 (2025) : 817-827 . |
| APA | Yang, Zhanlin , Hu, Guolin , Wang, Chenyu , Lin, Yuansheng , Shi, Zhichao , Chen, Jianhui et al. Solvation layer effects on lithium migration in localized High-Concentration Electrolytes: Analyzing the diverse antisolvent Contributions . | JOURNAL OF COLLOID AND INTERFACE SCIENCE , 2025 , 683 , 817-827 . |
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The electronic structure and optical properties of Cd2-xYxSnO4 are studied using the first-principle calculation within the generalized-gradient approximation and the Coulomb repulsion effect. Three defect models are constructed by Y atom occupying Cd sites. The energy band shows that the 4d electrons of Y atom mainly affect the bottom of conduction band. The density of state reveals that the 4d state of Y atom hybridizes with the O 2p and Cd 5s states at the bottom of conduction band. With the increment of the substitution numbers, Y 4d states increases gradually to enhance the hybrid intensity. The average effective mass of Cd1.875Y0.125SnO4 model attains 0.352m0, which is lower than 0.484m0 of Cd2SnO4. It indicates that the conductivity of Cd2SnO4 is improved by Y occupying Cd site. Moreover, the absorption edges of Cd1.9375Y0.0625SnO4 and Cd1.875Y0.125SnO4 models blueshift to induce optical transmittance reaching about 90% in the visible light region. Therefore, Cd1.875Y0.125SnO4 can be applied to prepare a short wavelength optical device in future.Graphical abstractAs the substitution concentration increases, both the conduction band and the valence band move to the low energy direction. The band gap value of Cd1.9375Y0.0625SnO4 is 2.19 eV, which is the closest to the band gap value of Cd2SnO4. The band gap value decreases slightly with increasing substitution concentration of Y at Cd site. Compared with the effective mass m* of Cd2SnO4, the effective mass m* decreases after the entry of Y atoms. It indicates that Y atoms substitution has a certain improvement for the conductivity of Cd2SnO4. The transmittance of Cd1.9375Y0.0625SnO4 and Cd1.875Y0.125SnO4 models can attain 90%, which is somewhat higher than that of Cd2SnO4.
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| GB/T 7714 | Tang, Mei , Wen, Cuilian . Electronic structure and optical property of Cd2-xYxSnO4 using the first-principles calculation [J]. | EUROPEAN PHYSICAL JOURNAL B , 2025 , 98 (1) . |
| MLA | Tang, Mei et al. "Electronic structure and optical property of Cd2-xYxSnO4 using the first-principles calculation" . | EUROPEAN PHYSICAL JOURNAL B 98 . 1 (2025) . |
| APA | Tang, Mei , Wen, Cuilian . Electronic structure and optical property of Cd2-xYxSnO4 using the first-principles calculation . | EUROPEAN PHYSICAL JOURNAL B , 2025 , 98 (1) . |
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In the face of escalating global warming and environmental pollution, innovative desalination approaches utilizing solar energy are crucial for addressing the freshwater resource crisis. Solar-driven interfacial evaporation desalination (SIED) systems have gained attention due to their eco-friendly and efficient approach to producing clean water by harnessing sunlight, with a focus on developing advanced photothermal conversion materials. MXenes, with their excellent hydrophilicity, rich chemical diversity, and distinguished photothermal response to light irradiation, are emerging as promising materials in high-efficiency SIED systems and have garnered increasing attention. Herein, the progress of MXenes for SIED systems to expedite real-world applications has critically examined. It is highlighted the structural diversity of MXenes, their synthesis methods, and tunable surface chemistries, which optimize broad-spectrum light absorption and solar energy utilization. The impact of photothermal conversion and water evaporation mechanisms is clearly elucidated. Thereafter, MXene-based membranes, hydrogels, aerogels, sponges and foams for water evaporation and desalination applications are systematically summarized and discussed. In SIED systems, MXene-based membranes demonstrate exceptional performance in scenarios requiring minimal volume or integration onto device surfaces, while other porous materials show robust performance in high-salinity and complex environments. Finally, we provide insightful perspectives on the key factors, forthcoming challenges, and future innovative directions for the exploration of MXene-based SIED systems.
Keyword ：
Desalination Desalination MXene MXene Photothermal conversion Photothermal conversion Solar-driven interfacial water evaporation Solar-driven interfacial water evaporation Water scarcity Water scarcity
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| GB/T 7714 | Wen, Cuilian , Li, Xiong , Yan, Siqing et al. Progress in MXene-based photothermal materials for solar-driven water evaporation and desalination [J]. | CHEMICAL ENGINEERING JOURNAL , 2025 , 510 . |
| MLA | Wen, Cuilian et al. "Progress in MXene-based photothermal materials for solar-driven water evaporation and desalination" . | CHEMICAL ENGINEERING JOURNAL 510 (2025) . |
| APA | Wen, Cuilian , Li, Xiong , Yan, Siqing , Wen, Jiansen , Zheng, Rongtao , Wang, Xinyi et al. Progress in MXene-based photothermal materials for solar-driven water evaporation and desalination . | CHEMICAL ENGINEERING JOURNAL , 2025 , 510 . |
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Hybrid organic-inorganic perovskites (HOIPs) solar cells have presented broad application prospects in the photovoltaic field due to their high energy conversion efficiency, ease of preparation, and low production costs. With the flourishing development of artificial intelligence, machine learning (ML) has been recently used for novel HOIP designs. However, the practical application of ML models for the designing of HOIPs is hampered mainly due to the lack of interpretability. Herein, a data-driven interpretable ML approach is introduced to distill the universal simple descriptors for the power conversion efficiency (PCE) of HOIPs-based solar cells. It is highlighted that two descriptors consist of easily obtained parameters are proposed to accurately predict PCE, which are superior to the commonly used descriptor band gap (Eg). Remarkably, universal criterions for the highthroughput screening of HOIPs are proposed to accelerate the screening of HOIPs-based solar cells with high PCE performance. This work paves the way toward rapid and precise screening of efficient HOIPs-based solar cells using a data-driven interpretable ML approach.
Keyword ：
Descriptor Descriptor Hybrid organic-inorganic perovskites Hybrid organic-inorganic perovskites Machine learning Machine learning Solar cells Solar cells
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| GB/T 7714 | Shi, Yudong , Wen, Jiansen , Wen, Cuilian et al. Interpretable machine learning insights of power conversion efficiency for hybrid perovskites solar cells [J]. | SOLAR ENERGY , 2025 , 290 . |
| MLA | Shi, Yudong et al. "Interpretable machine learning insights of power conversion efficiency for hybrid perovskites solar cells" . | SOLAR ENERGY 290 (2025) . |
| APA | Shi, Yudong , Wen, Jiansen , Wen, Cuilian , Jiang, Linqin , Wu, Bo , Qiu, Yu et al. Interpretable machine learning insights of power conversion efficiency for hybrid perovskites solar cells . | SOLAR ENERGY , 2025 , 290 . |
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