Light-Science & Applications
·
2025
·Vol. 14
·期 1
·1-9
·
IF 23.4
Chen Zhong,Man Zhongwei,Rao Shichao,Zhao Jinxing,Wang Shuaibing,Zhang Runtong,Teng Feng,Tang Aiwei
Recently, colloidal quantum dots (QDs) with high luminescent efficiency and tunable colors have become ideal materials for next-generation display devices. Direct photolithography is a powerful tool for patterning QD devices, but it faces the serious issue of degradation in the photophysical properties of the patterned QDs. Here, we use relatively rigid cyclopentane as a bridging group to design the crosslinker CPTA, achieving high-resolution direct photolithography of QDs with nearly nondestructive under ambient conditions. The key to the crosslinker design is the introduction of a rigid bridging group that elevates the LUMO level, providing a stronger energy barrier to prevent QD electrons from being trapped or undergoing non-radiative recombination, thus preserving their PL and EL properties. The efficient and high-resolution RGB line and dot arrays were fabricated with pixel sizes down to 1 μm and a resolution of up to 6350 PPI. The patterned RGB QD films, especially red QDs, maintained their optical and optoelectronic properties, with patterned red QLEDs achieving peak external quantum efficiency (EQE) of 21% and a maximum luminance ( L max ) of ~180,000 cd m⁻², matching pristine devices. These results highlight the importance of photo-crosslinker design for nondestructive QDs patterning, paving the way for advanced display applications in patterned QLED technology.
研究领域:
材料科学
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纳米技术
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光电子学
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显示技术
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光刻技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Advanced Energy and Sustainability Research
·
2024
·
IF 6.2
Hong Tu,Ying Xu,Shun-shun Chen,Ya Wang,Sheng-xin Guo,Jian Wu
The high catalytic activity of photocatalysts is greatly influenced by the efficient separation of photogenerated charge carriers. In this study, six g-C 3 N 4 -based COFs are designed and synthesized, and CN-203 is identified as the most efficient photocatalyst through experimental screening. Quantitative measurements reveal that singlet oxygen production is ≈100 times that of ·O 2 − and 5000 times that of ·OH. When combined with PMS, CN-203 exhibits degradation rates for RhB and TC that are ≈30 ( k = 0.0293 s −1 ) and 10 ( k = 0.2940 min −1 ) times faster than those of CN550(RhB, k = 0.0531 min −1 ; TC, k = 0.0301 min −1 ), respectively. Structural simulations and calculations show that the modified CN-203 have better electron–hole separation in the excited state, and the energy gap between HOMO and LUMO is significantly reduced after modification. The study also revealed the structure–function relationship between the modification of the same site with different functional groups and its effect on photocatalysis. Overall, this study provides valuable insights into the relationship between surface structure and photocatalytic applications.
研究领域:
材料科学
·
化学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
ACS Catalysis
·
2022
·
IF 13.7
Yuqin Chen,Yameng Zhu,Huixiang Sheng,Jin Wang,Chengyu Zhang,Yaqi Chen,Wei Huang,Gang Lu
Surface plasmons have received much attention in chemical reactions because of their high light-utilizing efficiency, high reaction rate, and mild reaction conditions. However, the potential of plasmonic photochemistry has not been fully exploited, mainly due to the limited lifetime of plasmon-generated hot carriers. Herein, using in situ Raman spectroscopy, we reveal that the coadsorption of p-hydroxythiophenol (PHTP) molecules significantly accelerates the plasmon-mediated decarboxylation reaction of p-mercaptobenzoic acid adsorbed on silver nanoparticles. The observed boosting of the decarboxylation reaction is attributed to the matched energy distribution of the plasmon-generated hot electrons to the lowest unoccupied molecular orbital (LUMO) level of the coadsorbed PHTP molecules. Our findings will help not only to deepen the understanding of the plasmon-mediated chemical reactions but also to fabricate highly efficient plasmonic catalysts conveniently and cost-effectively.
研究领域:
等离子体学
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光化学
·
催化
·
光谱学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MEMBRANE SCIENCE
·
2023
·
IF 9.5
Meng-Han Miao,Jin-Kai Qiu,Zhen-Liang Xu,Cheng Lian,Hong-Lai Liu,Jia-Hui Li,Yong-Jian Tang
Monomers are elementary units that constitute the polyamide layer, which determines the properties of nanofiltration membranes. The design of nanofiltration membranes with both high separation performance and outstanding chemical stability remains a challenge. In this study, two typical monomers, heterocyclic monomer molecule-piperazine (PIP) and carbon ring molecule-1,4-cyclohexane diamine (CHDA), were applied as aqueous monomers for interfacial polymerization to generate polyamide nanofiltration membranes. The physicochemical properties of the two nanofiltration membranes were comprehensively investigated. The results demonstrated that the nanofiltration membrane fabricated via CHDA exhibited more chemical stability than that fabricated via PIP. The mechanisms influencing the chemical stability difference were elucidated via multiscale simulation. The CHDA polyamide has higher levels of HOMO-LUMO energy and Gibbs-free energy, which make it more stable under harsh chemical environments. Overall, this work presents the effect of the diamine structure on the chemical stability of polyamide NF membranes, which can inspire highly chemically stable nanofiltration membrane fabrication.
研究领域:
材料科学
·
化学工程
·
纳米技术
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL PHYSICS LETTERS
·
2022
·
IF 2.719
Syed Adil Shah,Kuo-Juei Hu,Muhammad Naveed,Cao Lu,Shengyong Hu
Herein, gold-nanoclusters Au 6 (SR) 6 are synthesized in the argon atmosphere, using 2-phenylethanethiol and tetraoctylammonium bromide, as ligands and surfactants, respectively. Au 6 (SR) 6 possesses ca. 1.95 eV HOMO-LUMO gap, which is comparatively high and is also a dominant factor for quantum confinement effect. Moreover, the X-ray Photoelectron Spectroscopy (XPS) study shows the peak of Au 4f 7/2 appears at 86.89 eV, which describes the consistency regarding the size of clusters with XPS peak shift for Au 4f 7/2 value. In addition, the full width half maximum (FWHM) increases accordingly by decreasing the size of clusters.
研究领域:
纳米技术
·
材料科学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
Energy Storage Materials
·
2024
·
IF 18.9
Shuai Cui,Ting Li,Donggang Tao,Daohong Zhang,Yuliang Cao,Fei Xu
Rechargeable magnesium batteries are a potential selection for large-scale energy storage technologies, but development of cathode materials is the major difficulty at present. Organic polyimides are promising magnesium battery cathodes with the open and amorphous frameworks as well as enhanced charge delocalization. However, only two carbonyls are redox-active out of four for each imide unit, which largely limits the capacity. Herein, a new polyimide containing disulfide bond is fabricated and studied as cathode for rechargeable magnesium batteries. This polyimide shows a high capacity beyond the traditional two-electron principle. A mechanism study demonstrates that carbonyl enolization and disulfide bond break/formation occur in the redox process, leading to formation/break of sulfur-oxygen bond. This sulfur-oxygen bond enhances enolization and electron delocalization, resulting in an improved capacity. Further theoretical computation indicates a charge transfer within this sulfur-oxygen bond. The two-electron reduction state exhibits quite low HOMO and LUMO energy levels, which makes the disulfide bonded polyimide have a higher tendency to accept more electrons and a higher oxidation stability after reduction.
研究领域:
储能材料
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电化学
·
高分子化学
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电池技术
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材料科学
✓ 已验证
DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2025
·
IF 19
Yiping He,Tangli Chen,Yuelin Zhang,Yule Shi,Liang Yu,Yurui Hao,Yuchen Tan,Qinyu Shi,Zihao Cai,Hao Liu,Chengshan Xu,Nao Kobayashi,Yue Qiu,Gaolong Zhu,Shigeaki Yamazaki,Junxian Hou,Xuning Feng,Languang Lu,Terada Junpei,Minggao Ouyang
High-nickel lithium-ion batteries are known for their high energy density, but face severe safety challenges. The initial heat and gas accumulation originate from the highly reductive lithiated anode at the anode-electrolyte interface within the cell, which finally triggers the intensive exothermic reactions. Herein, an ethylene carbonate-less (EC-less) electrolyte endowed with a bianionic coordination solvation structure is designed, which significantly enhances the thermal stability of LiNi0.8Co0.1Mn0.1O2|graphite (NCM811|Gr) pouch cells by mediating anode-electrolyte interfacial reactions. This bianionic structured EC-less electrolyte demonstrates superior reductive stability against the highly reactive lithiated anode, as evidenced by its elevated lowest unoccupied molecular orbital (LUMO) energy level. Material-level thermal analysis confirms that EC-less electrolyte markedly manipulates the electrolyte reduction reactions, achieving a 29.7% reduction in heat release (−225.5 J g −1 ) relative to conventional electrolyte (−320.8 J g −1 ). Further validation using 1 Ah NCM811|Gr pouch cells demonstrates that EC-less electrolyte enables the cell to maintain thermal inertness at 180 °C for 40 min, whereas a conventional cell experiences intensive thermal runaway at 160 °C. Furthermore, EC-less electrolyte facilitates the formation of an inorganic-rich interphase, and the pouch cell exhibits excellent electrochemical performance. This research highlights the potential of interfacial reaction engineering for safer high-nickel lithium batteries.
研究领域:
储能
·
电化学
·
材料科学
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电池技术
✓ 已验证
DOI
高影响因子
RSC Advances
·
2014
·Vol. 4
·期 91
·50277-50284
·
IF 3.708
Zonghai Shi,Yunshan Zhou,Lijuan Zhang,Cuncun Mu,Haizhou Ren,Daf ul Hassan,Di Yang,Hafiz Muhammad Asif
Three new supramolecular compounds [H2TPP]1.5[SW11VO40]·5CH3CN·4H2O 1, [H2TPP]2[SW10V2O40]·4CH3CN·3H2O 2, and [H2TPP][SW12O40]·4H2O 3 composed of [H2TPP]2+ cation and vanadium substituted Keggin-type polyoxometalate (POM) anion [SW12−nVnO40](2+n)− (n = 0–2) were prepared and characterized. The third-order nonlinear optical (NLO) and optical limiting (OL) properties of resulting hybrids were studied by using an Nd:YAG laser at 532 nm with a pulse duration of τ = 7 ns. The results demonstrate that all of these supramolecular compounds have significant nonlinear reverse saturated absorption, self-defocusing behavior, and good OL performance, especially for compound 1, which has a second hyperpolarizability γ value of 7.05 × 10−29 (esu) and exhibits a comparable OL performance with the most well-known OL materials such as In(Pc*)Cl indicating that they are potentially excellent NLO materials. Remarkably, it was also observed that the degree of vanadium substitution in POM anions corresponding to different onset of reduction potential influences the NLO and OL properties of the resulting compounds: third-order NLO and OL properties of compound 2 are inferior to those of compound 1, and are better than those of compound 3. Both their second hyperpolarizability γ values and the OL performance were observed to be inversely proportional to the HOMO–LUMO gaps of the resulting compounds. The excited charge transfer from porphyrin to POM anions in the supramolecular compounds when exposed to laser irradiation is thought to play key role in the enhancement of NLO and OL response.
研究领域:
材料科学
·
光学
·
化学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Hao Ai,Qiushuo Li,Qiong Xu,Xiangying Li,Degen Li,Qiong Wu
To elucidate the modulation mechanism of halogen substitution on the electronic structure and solid-state packing of half-Salen Schiff base complexes, a combination of single-crystal X-ray diffraction, spectroscopic characterization, and density functional theory (DFT) calculations was employed. The research reveals a subtle balance: constrained by the non-planar conformation of the ligand, chloro-substitution results in minimal perturbation of the frontier molecular orbitals (FMOs), with the HOMO-LUMO gap only slightly decreasing from 2.87 eV to 2.80 eV. In stark contrast, the intermolecular interactions are significantly enhanced. Hirshfeld surface analysis and binding energy (ΔE) calculations confirmed that the newly formed C–H···Cl and halogen-π non-covalent interactions increased the pathways for intermolecular interactions, strengthening the dimer binding energy from –23.67 kcal/mol to –25.90 kcal/mol. These findings deepen the understanding of the effects of halogen substitution and provide new experimental and theoretical evidence for the regulation of band gaps and intermolecular interactions in Schiff base complexes .
研究领域:
无机化学
·
配位化学
·
材料科学
·
物理化学
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晶体工程
·
理论化学
✓ 已验证
产品关联
DOI
高影响因子
BIOORGANIC CHEMISTRY
·
2025
·
IF 4.7
Wanzhou Yang,Zhiyuan Tai,Yuexin Pan,Wenhao Zhang,Jia Ran,Zeyuan Yu,Xiaodong Yu,Qiyi He
Oxidative stress, arising from a dysregulation between the generation of reactive oxygen species (ROS) and antioxidant defense mechanisms, is closely linked to the pathogenesis of numerous chronic diseases. To identify natural peptide-based antioxidants, rabbit meat proteins were enzymatically hydrolyzed using seven proteases. Among them, Hydrolysates produced by papain demonstrated the greatest radical scavenging activity, with DPPH and ABTS inhibition rates of 51.50 % and 61.50 %, respectively. Ultrafiltration and Sephadex G-15 fractionation revealed that the <3 kDa fraction (PH3) and its subfraction F5 possessed the strongest antioxidant activity. LC-MS/MS analysis of F5 identified 163 peptides, of which 56 were predicted to exhibit antioxidant potential using PeptideRanker and AnOxPePred algorithms. Notably, seven novel peptides showed strong binding affinities to Keap1 (binding energy < −8.0 kcal/mol) in molecular docking, suggesting possible modulation of the Keap1–Nrf2 antioxidant pathway. Quantum chemical analysis (HOMO–LUMO orbitals and electrostatic potential mapping) combined with radical scavenging assays demonstrated that electron-donating aromatic residues (Trp, Tyr) played key roles in antioxidant activity via hydrogen atom and electron transfer mechanisms, establishing a molecular-level structure–activity relationship. In vivo validation using an AAPH-induced zebrafish model confirmed the peptides' safety and efficacy, including reduced ROS levels and restored endogenous antioxidant enzyme activities (SOD and CAT). Collectively, these findings provide mechanistic insight into the antioxidant action of rabbit-derived peptides and support their potential application as natural antioxidants for functional food development and oxidative stress-related disease prevention.
研究领域:
食品科学与技术
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生物化学
·
分子生物学
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营养生物化学
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计算化学
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药理学
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肽类研究
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Environmental Chemical Engineering
·
2025
·
IF 7.2
Yan Hai,Qiyao Cong,Yingnan Pang,Yunxing Zhao,Weilun Yan,Jianfeng Zhang,Jing Liang
Hexavalent chromium and phenol coexist in wastewater and exhibit synergistic toxicity, enhancing biological harmful effects. The integration of Density Functional Theory (DFT) and Machine Learning (ML) offers a promising approach to addressing complex environmental challenges, through bridging macroscopic and microscopic regular analysis. DFT simulations revealed that the tertiary amine (-N(CH 3 ) 2 ) and quaternary ammonium (-N + (CH 3 ) 3 ) groups on D301, carrying positive charges, can assemble phenol-degrading microorganisms through electrostatic interactions. HOMO/LUMO energy and the Fukui function revealed a low energy gap of 0.128 Ha between D301 and Cr(VI), suggesting the potential for spontaneous Cr(VI) reduction by D301. experiments demonstrated that the resin–microorganism composite material could degrade 1500 mg/L of phenol and reduce 20 mg/L of Cr(VI), which is higher than most of the currently reported co-removal levels. Using Bayesian regression, a synergistic metabolic model is established to predict the removal performance. The resin-microbe system can remove 34–36 % of 1800 mg/L phenol under 20 mg/L Cr(VI), with a prediction error of less than 5 %. This study, through DFT and integrated ML, revealed the active sites of the resin and constructed a co-metabolism model of phenol and Cr(VI), providing a new strategy for material design and microbial assembly in the removal of co-contaminants.
研究领域:
环境科学
·
计算化学
·
机器学习应用
·
微生物生物技术
·
水处理技术
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2018
·
IF 3.235
Xiaofang Ma,Jing Chen,Yali Wu,Samrat Devaramani,Xiaoyan Hu,Qixia Niu,Caizhong Zhang,Duoliang Shan,Huan Wang,Xiaoquan Lu
The RGO/AuNPs/CS/ZnTCPP nanocomposites were successfully prepared with reduced graphene oxide (RGO) loaded with Au nanoparticles (AuNPs) existed in chitosan (CS) and water-soluble zinc meso-tetra (4-carboxylphenyl) porphyrin (ZnTCPP) by π-π nanoassembly method and were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), 1 H NMR spectra and UV–vis absorption spectroscopy. The most important advantage of the RGO/AuNPs/CS/ZnTCPP nanocomposites was environmentally friendly. Indium tin oxide (ITO) electrode surface was modified with the RGO/AuNPs/CS/ZnTCPP nanocomposites exhibited a good photocurrent response at −0.2 V under whitelight of Xenon lamp illumination. The photocurrent response could be greatly increased by adding hydroquinone (HQ) to the solution. Electrons of ZnTCPP were excited from HOMO to LUMO by irradiating light. The photoexcited electrons injected into the RGO , and then transferred to AuNPs further to the ITO. Addition of HQ resulted in the enhanced photocurrent signal by acting as a sacrificial electron donor ; Thereby scavenged the photogenerated holes of the excited ZnTCPP and oxidized to benzoquinone (BQ). Based on the above interaction, detection of HQ was developed by a novel photoelectrochemical (PEC) sensor (S/N = 3) with a linear range from 5 to 300 nmol/L (r = 0.997) and detection limit of 0.5 nmol/L. Proposed biosensor is simple, rapid and this was successfully applied for the quantification HQ in the real sample matrices.
研究领域:
纳米技术
·
光电化学
·
环境科学
·
分析化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）