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学者姓名：林建德
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Abstract ：
Minimizing the defect density and optimizing surface/interface contacts are crucial for the advancement of high- efficient perovskite solar cells (PSCs). Molecular engineering has been demonstrated to be one of feasible strategies to passivate the defects from bulk, surface, and interface. However, the in-situ passivation the defects from both of the interfaces is hardly reported. Herein, two proof-of-concept molecules, ATR and TTR, were designed and synthesized by constructing asymmetric D-it-A architectures featuring electron-donating 2,7-dimethoxy-9,9dimethyl-acridine or bis(4-methoxyphenyl)amine moiety, an electron-deficient unit of 2-(4-oxo-2-thioxothiazolidin-3-yl) acetic acide and thiophene it-bridge. Both dyes manifested the ability of in-situ passivation the defects from the interfaces. Endowed with distinct passivation features, TTR and ATR exhibited high-quality perovskite films, large grain sizes, and aligned energy levels. The employment of these D-it-A dyes as additives successfully achieved a champion power conversion efficiency (PCE) of 24.69% for TTR and 24.16% for ATR, respectively, which represent the state-of-the-art device performance for thioxothiazolidin-based dyes. Furthermore, the PSC with TTR also showed an exceptional stability. This study offers an effectively molecular design for the passivation strategy to attain high-performance perovskite photovoltaics.
Keyword ：
Both interfaces and grain boundaries Both interfaces and grain boundaries D -it-A dyes D -it-A dyes In-situ passivation In-situ passivation N -I-P perovskite solar cells N -I-P perovskite solar cells Regulatory electron-donating units Regulatory electron-donating units
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| GB/T 7714 | Wang, Rongxin , Lin, Jiande , Lin, Zhichao et al. In-situ passivation the defects both interfaces for n-i-p perovskite solar cells on regulatory electron-donating units of D-it-A dyes [J]. | CHEMICAL ENGINEERING JOURNAL , 2025 , 508 . |
| MLA | Wang, Rongxin et al. "In-situ passivation the defects both interfaces for n-i-p perovskite solar cells on regulatory electron-donating units of D-it-A dyes" . | CHEMICAL ENGINEERING JOURNAL 508 (2025) . |
| APA | Wang, Rongxin , Lin, Jiande , Lin, Zhichao , Zhang, Xingye , Wu, Yibing , Xiao, Yuanhui et al. In-situ passivation the defects both interfaces for n-i-p perovskite solar cells on regulatory electron-donating units of D-it-A dyes . | CHEMICAL ENGINEERING JOURNAL , 2025 , 508 . |
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Selection of the suitable lignocellulosic biomass precursor is critical for obtaining high-performance hard carbon materials (HCs) for sodium ion battery (SIBs); herein, we utilized representative lignocellulosic biomass including hardwood (eucalyptus), softwood (scots pine), bamboo (moso bamboo) and straw (juncao) to evaluate the influence of biomass origin on the structure of the HCs and performance of SIBs. The results showed that bamboo derived carbon (BC) with relatively high disordered region, pseudo-graphite region and carbonyl content exhibits the superior performance with reversible capacity up to 344.3 mAh g- 1 at 20 mA g- 1, cycle stability of 82.6 % after 100 cycles at 1 A g- 1. By contrast, softwood HC and hardwood HC show moderate reversible capacity about 300 mAh g- 1 at 20 mA g- 1; whereas, the straw HC with comparable slop capacity is pulled down due to the obviously low plateau capacity. This work provides feasibility of the potential applications of the bamboo in the SIBs.
Keyword ：
Carbonyl Carbonyl Hard carbon Hard carbon Lignocellulosic biomass Lignocellulosic biomass Sodium-ion battery Sodium-ion battery
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| GB/T 7714 | Li, Gengchen , Hua, Zifeng , Yang, Juan et al. Bamboo- A potential lignocellulosic biomass for preparation of hard carbon anode used in sodium ion battery [J]. | BIOMASS & BIOENERGY , 2025 , 194 . |
| MLA | Li, Gengchen et al. "Bamboo- A potential lignocellulosic biomass for preparation of hard carbon anode used in sodium ion battery" . | BIOMASS & BIOENERGY 194 (2025) . |
| APA | Li, Gengchen , Hua, Zifeng , Yang, Juan , Hu, Heshen , Zheng, Jiefeng , Ma, Xiaojuan et al. Bamboo- A potential lignocellulosic biomass for preparation of hard carbon anode used in sodium ion battery . | BIOMASS & BIOENERGY , 2025 , 194 . |
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Nitrogen reduction reaction (NRR) as a promising approach to ammonia synthesis has received much attention in recent years. Molybdenum disulfides (MoS2), as one of the most potential candidates for NRR, are extensively investigated. However, the inert basal plane limits the application of MoS2. Herein, by using density functional theory (DFT) calculations, we constructed edge-exposed MoS2 and different kinds of basal plane defects, including anti-site, sulfur vacancy and pore defects, to systematically investigate their influence on the NRR performance. The thermodynamically calculated results revealed that the NRR on edge-exposed MoS2, anti-site defects, sulfur vacancy with three sulfur atoms missing (S-3V) and porous defect (D) exhibit great catalytic activity with low limiting potentials. The calculated limiting potentials are -0.43 and -0.47 V at armchair and zigzag edge MoS2, -0.42 and -0.44 V at anti-site defects, -0.49 and -0.67 V at S-3V and D. However, by inspecting the thermodynamic properties of the hydrogen evolution reaction, we proposed that the zigzag-end MoS2 and anti-site defects exhibit a better NRR selectivity compared to armchair-end MoS2, S-3V and D. Electronic structure calculations reveals that the edge-exposed and basal plane defective MoS2 can improve the conductivity of the material by reducing the band gap. Donation-backdonation mechanism can effectively promote the activation of nitrogen molecule. Our results pave the way to understanding the defective effects of the MoS2 inertness plane for NRR and designing high-performance NRR catalysts.
Keyword ：
Density Functional Theory Density Functional Theory MoS2 MoS2 Nitrogen Reduction Reaction Nitrogen Reduction Reaction Surface Defects Surface Defects
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| GB/T 7714 | Xiao, Yuan-Hui , Wu, Xin-Wei , Chen, Lai-Ke et al. A First Principle Study to Understand the Importance of Edge-exposed and Basal Plane Defective MoS2 Towards Nitrogen Reduction Reaction [J]. | CHEMPHYSCHEM , 2025 , 26 (9) . |
| MLA | Xiao, Yuan-Hui et al. "A First Principle Study to Understand the Importance of Edge-exposed and Basal Plane Defective MoS2 Towards Nitrogen Reduction Reaction" . | CHEMPHYSCHEM 26 . 9 (2025) . |
| APA | Xiao, Yuan-Hui , Wu, Xin-Wei , Chen, Lai-Ke , Ma, Zi-Wei , Lin, Jian-De , Devasenathipathy, Rajkumar et al. A First Principle Study to Understand the Importance of Edge-exposed and Basal Plane Defective MoS2 Towards Nitrogen Reduction Reaction . | CHEMPHYSCHEM , 2025 , 26 (9) . |
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Metal-organic frameworks (MOFs) are considered promising candidates for anode materials in Li-ion batteries (LIBs) owing to their designable structure, abundant active sites, and well-organized porosity. However, the structural factors governing active site utilization and Li-ion storage kinetics remain inadequately understood. In particular, the Li-ion storage behaviors of aromatic rings with high LUMO energy levels and situated in varying chemical environments remain a highly debated issue. Herein, a new cobalt-based MOF (Co-NTTA, NTTA ligand: 5,5 ',5 ''-((4,4 ',4 ''-nitrilotris (benzoyl)) tris-(azanediyl)) triisophthalic acid), featuring aromatic rings situated in diverse local environments, is deliberately designed and synthesized. Experimental characterizations and first-principles calculations have verified the occurrence of a reversible electrochemical reaction involving a total of 51 electrons among the NTTA ligands, cobalt cations, and Li+ ions. Unlike the traditional concept of superlithiation, the three inner aromatic rings are selectively activated by pi-aromatic conjugation networks and pi & ctdot; ${\cdots }$ pi stacking, contributing to a reversible 6-electron pseudocapacitive Li+ intercalation reaction. Conversely, the three outer aromatic rings remain inert toward Li+ ions. Impressively, the Co-NTTA MOF anode, with selectively activated aromatic rings, delivers a reversible capacity of up to 956 mAh g-1 at 200 mA g-1 and demonstrates exceptional high-rate durability, further supporting a 4.3 V lithium-ion hybrid electrochemical capacitor with high energy/power density.
Keyword ：
intercalation pseudocapacitance intercalation pseudocapacitance lithium-ion storage mechanism lithium-ion storage mechanism metal-organic frameworks metal-organic frameworks pi-aromatic conjugation pi-aromatic conjugation selectively activatable aromatic rings selectively activatable aromatic rings
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| GB/T 7714 | Li, Sha , Lin, Jiande , Wang, Huiqun et al. Three-Dimensional Metal-Organic Frameworks with Selectively Activated Aromatic Rings for High-Capacity and High-Rate Lithium-Ion Storage [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (16) . |
| MLA | Li, Sha et al. "Three-Dimensional Metal-Organic Frameworks with Selectively Activated Aromatic Rings for High-Capacity and High-Rate Lithium-Ion Storage" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 16 (2025) . |
| APA | Li, Sha , Lin, Jiande , Wang, Huiqun , Zhou, Shiyuan , Guo, Xiangyang , Zhan, Xiao et al. Three-Dimensional Metal-Organic Frameworks with Selectively Activated Aromatic Rings for High-Capacity and High-Rate Lithium-Ion Storage . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2025 , 64 (16) . |
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Cobalt-nickel metal-organic framework/activated carbon (MOF/AC) composites with tunable flower-like architectures were synthesized via a straightforward hydrothermal method, utilizing activated carbon as a structural and functional modifier. This modification increased the surface area from 20.3 m2/g to 164.5 m2/g, providing a high density of nucleation sites and optimizing the morphology for efficient ion diffusion and electrolyte permeability. The incorporation of activated carbon (AC) not only improved structural stability but also facilitated electron transfer, thereby enhancing conductivity. Among the synthesized composites, MOF/AC180 exhibited a specific capacitance of 731.8 F/g at 1 A/g, with 67.0 % retention at higher current densities. An asymmetric supercapacitor (ASC) based on MOF/AC-180 achieved an energy density of 35.9 Wh/kg at a power density of 750 W/kg, along with considerable cycling stability, retaining 91 % of its initial capacitance after 10,000 cycles. This study highlights the potential of using AC to enhance the structure and conductivity of MOF composites. The tunable morphology improves ion transport and electrochemical performance, making these materials viable for supercapacitor applications. Furthermore, the straightforward synthesis method and scalability provide a basis for future industrial applications across various multifunctional material fields.
Keyword ：
Activated carbon (AC) Activated carbon (AC) Asymmetric supercapacitor Asymmetric supercapacitor Energy storage devices Energy storage devices Metal-organic framework (MOF) Metal-organic framework (MOF) Regulable morphology Regulable morphology
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| GB/T 7714 | Wang, Shirui , Lin, Jiande , Yuan, Zhanhui et al. Tunable architecture of cobalt-nickel metal-organic framework/activated carbon composites for superior electrochemical performance in asymmetric supercapacitors [J]. | JOURNAL OF COLLOID AND INTERFACE SCIENCE , 2025 , 684 : 647-657 . |
| MLA | Wang, Shirui et al. "Tunable architecture of cobalt-nickel metal-organic framework/activated carbon composites for superior electrochemical performance in asymmetric supercapacitors" . | JOURNAL OF COLLOID AND INTERFACE SCIENCE 684 (2025) : 647-657 . |
| APA | Wang, Shirui , Lin, Jiande , Yuan, Zhanhui , Luo, Lu , Zhang, Wenxue , He, Cheng et al. Tunable architecture of cobalt-nickel metal-organic framework/activated carbon composites for superior electrochemical performance in asymmetric supercapacitors . | JOURNAL OF COLLOID AND INTERFACE SCIENCE , 2025 , 684 , 647-657 . |
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Single-atom catalysts (SACs) have become attractive options for the efficient nitrogen reduction reaction (NRR) because of their unique properties in the activation of nitrogen molecules. As a novel two-dimensional material, boron nitride (BN)-doped graphene has attracted much attention due to its electronic structure, which can be regulated with boron nitride coverage. In the current work, we first screened potential SACs for NRR from various single transition metal atoms embedded in BN-doped graphene (BNC) by using density functional theory (DFT) calculations. Excellent catalytic activity for NRR is demonstrated by the V, Mo, Ru, and Os anchored on the B vacancy and generated SACs, with overpotentials of -0.56, -0.52, -0.60, and -0.61 V vs the standard hydrogen electrode (SHE). Taking advantage of BN-doped graphene electronic structures that can be modified, we further investigated the effect of boron nitride coverage on the SACs' NRR performance. The electronic structure of the metal center can be altered by controlling the boron nitride coverage, which can further affect the catalytic performance. The potential determining step (PDS) and also the maximal free energy difference vary by modulating the boron nitride coverage. A larger energy range than the hydrogen evolution reaction (HER) is covered by the maximum energy shift between the PDSs, which can reach 0.29 eV. This indicates that by changing the coverage of the BN of the substrate, it is expected to improve the SACs's catalytic activity and selectivity of NRR. Moreover, it is possible for a pathway to change from one that is adsorption favorable to another one that is thermodynamically favorable of the intermediate NNH. Our results help to clarify the structure-performance correlations and expedite the creation of SACs for ammonia synthesis.
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| GB/T 7714 | Xiao, Yuan-Hui , Ma, Zi-Wei , Wu, Xin-Wei et al. Theoretical Insight into the Transition-Metal-Embedded Boron Nitride-Doped Graphene Single-Atom Catalysts for Electrochemical Nitrogen Reduction Reaction [J]. | JOURNAL OF PHYSICAL CHEMISTRY C , 2025 , 129 (4) : 1930-1940 . |
| MLA | Xiao, Yuan-Hui et al. "Theoretical Insight into the Transition-Metal-Embedded Boron Nitride-Doped Graphene Single-Atom Catalysts for Electrochemical Nitrogen Reduction Reaction" . | JOURNAL OF PHYSICAL CHEMISTRY C 129 . 4 (2025) : 1930-1940 . |
| APA | Xiao, Yuan-Hui , Ma, Zi-Wei , Wu, Xin-Wei , Chen, Lai-Ke , Sajid, Zubia , Devasenathipathy, Rajkumar et al. Theoretical Insight into the Transition-Metal-Embedded Boron Nitride-Doped Graphene Single-Atom Catalysts for Electrochemical Nitrogen Reduction Reaction . | JOURNAL OF PHYSICAL CHEMISTRY C , 2025 , 129 (4) , 1930-1940 . |
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The advent of biomass-origin transparent panels, such as transparent wood, heralds a paradigm shift in the utilization of natural light for energy-efficient construction and a plethora of optical applications. However, it current relies on fossil-based polymers for index-matching, along with a lack of recyclability and constraints in scalable production to larger dimensions. Here, a bottom-up strategy is proposed for preparing sustainable transparent panels from bamboo powder by reconstructing the hydrogen-bond network of cellulose into a dynamic covalent structure via sodium periodate oxidation and water-induced formation of hydrated aldehydes. The resultant all-biobased transparent panels exhibited both high transmittance (>85%) and haze (>75%), excellent mechanical strength (approximate to 83 MPa tensile strength), and remarkable water resistance. Moreover, this transparent panel exhibits potential for perovskite solar cells integration, enhancing power-conversion efficiency from 22.57% to 23.33%. Importantly, the end-of-life transparent panels can be easily recycled via moisture control, or alternatively repurposed as high-performance bio-based adhesives through pulverization and water mixing. This closed-loop recyclability with low carbon footprint, combined with high strength, efficient power conversion, and aqu-recyclability, establishes a sustainable pathway for construction and optical applications.
Keyword ：
bamboo bamboo crystalline structure crystalline structure holocellulose holocellulose recyclable recyclable transparent panel transparent panel
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| GB/T 7714 | Ren, Wenting , Lin, Jiande , Liu, Zijing et al. Sustainable, High-Performance, Aqu-Recyclable Transparent Panels via Phase Engineering and Water-Induced Plasticization of Bamboo [J]. | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
| MLA | Ren, Wenting et al. "Sustainable, High-Performance, Aqu-Recyclable Transparent Panels via Phase Engineering and Water-Induced Plasticization of Bamboo" . | ADVANCED FUNCTIONAL MATERIALS (2025) . |
| APA | Ren, Wenting , Lin, Jiande , Liu, Zijing , Huang, Minfeng , Huang, Yuxuan , Li, Jingpeng et al. Sustainable, High-Performance, Aqu-Recyclable Transparent Panels via Phase Engineering and Water-Induced Plasticization of Bamboo . | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
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The application of Fe (N) single-atom catalysts (SACs) in the hydrogen evolution reaction (HER) is hindered by insufficient active sites, poor conductivity, and instability of Fe-N4 centers under HER conditions. Herein, we propose a sulfur-driven reconfiguration strategy to tailor the coordination environment of a single Fe atom. Using thiourea as a dual N/S source, N/S co-doped lignin-derived carbon dots (NSLCDs) were synthesized via hydrothermal carbonization, serving as supports for single Fe atoms anchored by photoreduction to form Fe-N2.3S1.75+x coordination structures. Density functional theory (DFT) revealed that this configuration optimizes the electronic structure of the sulfur sites, achieving a favorable Gibbs free energy for H* adsorption (ΔGH* = -0.18 eV). The optimized Fe-NSLCDs exhibited an HER overpotential of -0.28 V. When coupled with CdS nanorods, the composite achieved a photocatalytic hydrogen evolution rate of 19.45 mmol∙g-1∙h-1 and maintains stable activity (>17.56 mmol∙g-1∙h-1 over 50 h). This study establishes a universal framework for engineering metal coordination environments in SACs, bridging atomic-scale design with macroscopic catalytic efficiency for renewable energy applications. © 2025, The Authors. All rights reserved.
Keyword ：
Atoms Atoms Carbon Carbon Carbonization Carbonization Catalyst activity Catalyst activity Cobalt compounds Cobalt compounds Density functional theory Density functional theory Design for testability Design for testability Doping (additives) Doping (additives) Electronic structure Electronic structure Free energy Free energy Gibbs free energy Gibbs free energy Hydrogen Hydrogen Hydrogen evolution reaction Hydrogen evolution reaction Iron Iron Iron compounds Iron compounds Lignin Lignin Sulfur Sulfur Sulfur compounds Sulfur compounds
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| GB/T 7714 | Lou, Chenfang , Tian, Qinfen , Liang, Jiaqi et al. Reconfiguration of the Fe-N4 Active Site by S Element and its Effect on Hydrogen Evolution Performance of Fe-Carbon Dots Sacs [J]. | SSRN , 2025 . |
| MLA | Lou, Chenfang et al. "Reconfiguration of the Fe-N4 Active Site by S Element and its Effect on Hydrogen Evolution Performance of Fe-Carbon Dots Sacs" . | SSRN (2025) . |
| APA | Lou, Chenfang , Tian, Qinfen , Liang, Jiaqi , Lin, Tingfeng , Lin, Jiande , Zheng, Xinru et al. Reconfiguration of the Fe-N4 Active Site by S Element and its Effect on Hydrogen Evolution Performance of Fe-Carbon Dots Sacs . | SSRN , 2025 . |
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The buried interface in n-i-p structured perovskite solar cells (PSCs), typically rich in defects, is a critical target for functional molecule passivation strategies to enhance device performance. In this study, three functional molecules bearing different electron-withdrawing groups are investigated to modify the perovskite/electron transport layer (ETL) interface. Remarkably, all three molecules exhibit a dual-anchoring behavior: simultaneously binding to the SnO2 ETL surface using both head and tail functional groups, a binding mode not previously reported. Three passivation molecules bearing distinct electron-withdrawing groups are designed and evaluated: sodium trifluoroacetate (NaTFA), sodium trifluoromethanesulfinate (NaTTSA), and sodium trifluoromethanesulfonate (NaTSA), collectively referred to as NaTXA. Among them, NaTSA containing a sulfonic acid (& horbar;SO3) group, exhibits strongest interfacial binding and most effective passivation, outperforming NaTTSA (& horbar;SO2) and NaTFA (& horbar;COOH). This enhancement is attributed to the stronger electron-withdrawing nature of the & horbar;SO3 group and its favorable energy-level alignment at the buried interface, which minimizes defects at the interface and ensures high-speed carrier transport. As a result, the optimized device achieves a power conversion efficiency (PCE) of 25.60% with substantially improved operational stability. This work provides critical insights into functional group selection for interface engineering and deepens the mechanistic understanding of molecule-mediated passivation strategies in PSCs.
Keyword ：
buried interface buried interface electron transport layer electron transport layer perovskite solar cell perovskite solar cell reconstruction strategy reconstruction strategy SnO2 SnO2
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| GB/T 7714 | Xu, Xiangning , Lin, Jiande , Song, Qili et al. Buried Interface Reconstruction Strategy Realizes Efficient and Stable Perovskite Solar Cells [J]. | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
| MLA | Xu, Xiangning et al. "Buried Interface Reconstruction Strategy Realizes Efficient and Stable Perovskite Solar Cells" . | ADVANCED FUNCTIONAL MATERIALS (2025) . |
| APA | Xu, Xiangning , Lin, Jiande , Song, Qili , Wang, Xinli , Mu, Cheng , Lin, Zhichao . Buried Interface Reconstruction Strategy Realizes Efficient and Stable Perovskite Solar Cells . | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
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Photocatalytic oxygen reduction to industrially valuable hydrogen peroxide (H2O2) in the presence of water without sacrificial agents is highly desirable but challenging in the context of carbon neutrality. As a type of metal-free photocatalysts, covalent triazine polymers (CTPs) have great potential in photocatalytic H2O2 evolution. In this paper, a strategy is proposed by simultaneously introducing the pyrene (Py) and ether (Et) groups into covalent triazine polymers to fabricate CTP-Py-Et. The introduction of pyrene groups increases the material's overall conjugation degree, thereby enhancing visible light absorption. Meanwhile, the stronger electronic ability of the pyrene groups establishes more charge transfer channels through the electron push-pull effect, and more free charges can participate in the photocatalytic H2O2 evolution from water and oxygen. The incorporation of ether groups enhances the migration efficiency of photogenerated charges and effectively boosts the selectivity of the photocatalytic one-step two-electron oxygen reduction. Compared with one-component CTPs (CTP-Py and CTP-Et), CTP-Py-Et possesses an outstanding photocatalytic H2O2 apparent quantum efficiency of 13.2% at 420 nm and an objective solar-to-chemical conversion (SCC) efficiency of 0.52% at 298 K. In certain instances, a high H2O2 concentration (3.22 mm, 1 h) can be obtained through CTP-Py-Et, prominently surpassing many reported polymer-based photocatalysts.
Keyword ：
covalent triazine polymers covalent triazine polymers hydrogen peroxide hydrogen peroxide oxygen reduction oxygen reduction photocatalysis photocatalysis selectivity selectivity
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| GB/T 7714 | Wang, Chong , Lv, Jinliang , Lu, Yichun et al. Harmonizing the Pyrene and Ether Groups in Covalent Triazine Polymers for Highly Effective H2O2 Photosynthesis via One-Step Two-Electron Oxygen Reduction [J]. | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
| MLA | Wang, Chong et al. "Harmonizing the Pyrene and Ether Groups in Covalent Triazine Polymers for Highly Effective H2O2 Photosynthesis via One-Step Two-Electron Oxygen Reduction" . | ADVANCED FUNCTIONAL MATERIALS (2025) . |
| APA | Wang, Chong , Lv, Jinliang , Lu, Yichun , Ye, Hanfeng , Zhang, Xuan , Cancellara, Leonardo et al. Harmonizing the Pyrene and Ether Groups in Covalent Triazine Polymers for Highly Effective H2O2 Photosynthesis via One-Step Two-Electron Oxygen Reduction . | ADVANCED FUNCTIONAL MATERIALS , 2025 . |
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