Query：
学者姓名：吴清宸
Refining：
Year
Type
Indexed by
Source
Complex
Co-
Language
Clean All
Abstract ：
Infrared (IR) nonlinear optical (NLO) crystals are essential for laser applications in mid- or far-IR regions. The common mid-IR NLO crystals are inadequate under high-power laser mainly due to low laser-induced damage threshold which is closely related to the lattice thermal conductivity (kappa L). Here a combined method involving automatic structure prediction algorithms, first-principles calculations and machine learning model is used to predict and evaluate a new IR NLO material family with the chemical formula of Li2ZnS2. Totally, three Li2ZnS2 structures (or phases) are designed, where one phase is expected to meet the stringent requirements for mid-IR NLO materials pumped by high-power laser, with the high thermal conductivity, decent NLO coefficient, wide bandgap and phase-matching ability in the mid-IR region. This study presents an efficient approach to exploring mid-IR NLO materials with high kappa L based on accumulated knowledge concerning the structure-property relationship in the NLO field and provides inspiration to improve kappa L prediction.
Keyword ：
chalcogenides chalcogenides infrared laser infrared laser nonlinear optical crystal nonlinear optical crystal prediction and evaluation prediction and evaluation thermal conductivity thermal conductivity
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Wu, Qingchen , Dong, Linfeng , Kang, Lei et al. Prediction and Evaluation of Li2ZnS2 Crystals as Mid-Infrared Nonlinear Optical Material with High Thermal Conductivity [J]. | ADVANCED OPTICAL MATERIALS , 2025 , 13 (10) . |
| MLA | Wu, Qingchen et al. "Prediction and Evaluation of Li2ZnS2 Crystals as Mid-Infrared Nonlinear Optical Material with High Thermal Conductivity" . | ADVANCED OPTICAL MATERIALS 13 . 10 (2025) . |
| APA | Wu, Qingchen , Dong, Linfeng , Kang, Lei , Lin, Zheshuai . Prediction and Evaluation of Li2ZnS2 Crystals as Mid-Infrared Nonlinear Optical Material with High Thermal Conductivity . | ADVANCED OPTICAL MATERIALS , 2025 , 13 (10) . |
| Export to | NoteExpress RIS BibTex |
Version ：
Abstract ：
Deep hydrogenation of dicyclopentadiene resin (DCPD resin) plays an important role in enhancing its performance and broadening its applications. However, designing suitable catalysts for promoting DCPD resin deep hydrogenation remains a challenge due to the high steric hindrance and abundant unsaturated bonds in DCPD resin, requiring strong binding to C=C double bonds. We herein propose a strategy for simultaneously constructing highly-dispersed Ni particles for hydrogen dissociation and interfacial Ni0/Ni(OH)+ sites for C=C adsorption by controlled reduction of Ni phyllosilicate (Ni PS). The catalyst, after reduction at 400 degrees C, demonstrated balanced ratio between Ni0 and interfacial Ni0/Ni(OH)+ sites, and achieved a hydrogenation degree of 99.8% (TOF: 68.8 h-1) while maintaining 99.3% efficiency after seven consecutive cycles. Through in-situ DRIFTS analysis and density functional theory (DFT) calculations, it is confirmed that the introduction of Ni0/Ni(OH)+ interfacial sites results in superior activity compared to pure Ni0 or unreduced PS due to optimized charge transfer and electronic configuration. This work not only establishes a simple and environmentally-friendly approach to design efficient catalysts for polymer hydrogenation, but also provides insights into the mechanism of unsaturated bond hydrogenation through the synergistic effects of Ni0 and Ni0/Ni(OH)+ interfacial sites.
Keyword ：
DCPD resin DCPD resin Hydrogenation Hydrogenation Ni(OH) plus Ni(OH) plus Ni phyllosilicate Ni phyllosilicate
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Liu, Qunhong , Liu, Zhen , Yang, Zongxuan et al. Deciphering Ni0/Ni(OH)+ interfacial sites for deep hydrogenation of dicyclopentadiene resin [J]. | CHEMICAL ENGINEERING JOURNAL , 2025 , 512 . |
| MLA | Liu, Qunhong et al. "Deciphering Ni0/Ni(OH)+ interfacial sites for deep hydrogenation of dicyclopentadiene resin" . | CHEMICAL ENGINEERING JOURNAL 512 (2025) . |
| APA | Liu, Qunhong , Liu, Zhen , Yang, Zongxuan , Wu, Qingchen , Li, Zimeng , Liu, Zhichen et al. Deciphering Ni0/Ni(OH)+ interfacial sites for deep hydrogenation of dicyclopentadiene resin . | CHEMICAL ENGINEERING JOURNAL , 2025 , 512 . |
| Export to | NoteExpress RIS BibTex |
Version ：
Abstract ：
The single-atom Fe-N-C electrocatalyst is considered one of the most promising alternatives to the expensive and scarce Pt-based catalysts for promoting oxygen reduction reaction in fuel cells. Regulating the coordination environment of the Fe center is a feasible strategy to improve its stability and catalytic activity. Recently, the introduction of axial ligands to Fe-N-C has attracted extensive research interest, providing a new dimension for coordination environment regulation compared with the common approaches of in-plane doping or defect construction. This review focuses on discussing the contribution of axial ligand decoration to the activity and stability of the Fe-N-C catalyst, evaluating different types of axial ligands that have been introduced in the recent literature. Through summarizing the progress in decorating axial ligands to the Fe-N-C system, this review provides profound insights into the design and preparation of axially coordinated Fe-N-C catalysts.
Keyword ：
axially coordinated ligands axially coordinated ligands electronic structures electronic structures Fe-N-C Fe-N-C oxygen reduction reactions oxygen reduction reactions single-atom catalysts single-atom catalysts
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Yang, Zongxuan , Wu, Qingchen , Zhang, Hongwei et al. Strategic Engineering of Axially Coordinated Ligands in Fe-N-C Catalysts for Enhanced Oxygen Reduction Electrocatalysis [J]. | CHEMSUSCHEM , 2025 , 18 (15) . |
| MLA | Yang, Zongxuan et al. "Strategic Engineering of Axially Coordinated Ligands in Fe-N-C Catalysts for Enhanced Oxygen Reduction Electrocatalysis" . | CHEMSUSCHEM 18 . 15 (2025) . |
| APA | Yang, Zongxuan , Wu, Qingchen , Zhang, Hongwei , Hu, Cejun , Bao, Xiaojun , Yuan, Pei . Strategic Engineering of Axially Coordinated Ligands in Fe-N-C Catalysts for Enhanced Oxygen Reduction Electrocatalysis . | CHEMSUSCHEM , 2025 , 18 (15) . |
| Export to | NoteExpress RIS BibTex |
Version ：
Export
| Results： |
Selected to |
| Format： |
