Accelerating Lattice Thermal Conductivity Calculations in MXenes: A Machine Learning Force Field Approach [0.03%]
利用机器学习势函数加速MXenes的晶格热导计算
Thanasee Thanasarnsurapong,Sourav Kanti Jana,Panyalak Detrattanawichai et al.
Thanasee Thanasarnsurapong et al.
Traditionally, lattice thermal conductivity is evaluated using the phonon Boltzmann transport equation (PBTE) in combination with density functional theory (DFT) calculations. However, this approach is computationally intensive. In this stu...
Controlled Synthesis of Core-Shell-Shell Structured Sulvanite-Based Nanocomposites with Luminescent Property [0.03%]
具有发光性能的基于硫化物的核壳壳型纳米复合材料的控制合成
Ha Na,Samuel Oyon,Linisha Biswal et al.
Ha Na et al.
Despite growing interest in multifunctional nanomaterials for biomedical and sensing applications, there remains a notable scarcity of hybrid nanoparticles that integrate semiconducting, fluorescent, and biocompatible components into a sing...
An Orthogonal Supramolecular Approach toward Protein Binding and Protein Sensing Using Dendrimers as Scaffolds for the Noncovalent Assembly of Binding and Sensing Groups [0.03%]
基于刷状高分子的蛋白质结合和传感的超分子正交策略研究
Azrah Aziz,Lance J Twyman,Amal Al Ageel et al.
Azrah Aziz et al.
Inhibiting unwanted protein-protein interactions (PPIs) by targeting extensive protein binding surfaces presents a significant challenge. Macro-ligands offer a promising approach, but traditional covalent functionalization strategies often ...
Improving Polymeric Structures with Hirshfeld Atom Refinement: A Study on MOFs and COFs [0.03%]
利用Hirshfeld原子精修改进聚合物结构——关于MOF和COF的研究
Magdalena Woińska,Anna Makal,Paweł Grzymski-Ostręga et al.
Magdalena Woińska et al.
Many metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) can form crystals amenable to single-crystal X-ray diffraction analysis. It makes them suitable for Hirshfeld atom refinement (HAR) which has a well-established adv...
Standardizing XPS and HAXPES Analyses of LLZO Solid-State Electrolytes and Their Reactive Compounds [0.03%]
LLZO固态电解质及其反应化合物的XPS和HAXPES分析标准化
Huanyu Zhang,Lars P H Jeurgens,Claudia Cancellieri et al.
Huanyu Zhang et al.
Surface contamination of Li7La3Zr2O12 (LLZO) is a significant challenge that impedes its use as a nonflammable and nontoxic solid-state electrolyte in high energy density, temperature-tolerant Li metal solid-state batteries. This work prese...
Multilayered Fabrication Containing Wind Turbine Blade Solid Wastes for High-Performance Composite Fibers [0.03%]
含风力发电机叶片固废的多功能复合纤维面料的多层次制备
Varunkumar Thippanna,Arunachalam Ramanathan,Dhanush Patil et al.
Varunkumar Thippanna et al.
The disposal of wind turbine blade (WTB) waste poses a significant environmental challenge due to its high volume and complex composition. This study introduces an innovative approach to address this issue by repurposing WTB-derived glass f...
Composite Bifunctional Electrocatalyst for the Oxygen Reduction and Evolution Reactions [0.03%]
氧气还原和析出反应的复合双功能电催化剂
Casey E Beall,Emiliana Fabbri,Juliana Bruneli Falqueto et al.
Casey E Beall et al.
Bifunctional oxygen electrocatalysts are subjected to stringent performance and stability criteria. The catalyst must achieve high oxygen evolution reaction (OER) activity while in electrolyzer operation, as well as high oxygen reduction re...
Lipid-Inspired Low Melting Ionic Liquids via Synergistic Cyclopropanation and Branching of Terpenoids [0.03%]
单萜类化合物的协同环丙烷化和支链反应制备新型低温离子液体
Muhammadiqboli Musozoda,Richard A O&#x;Brien,Zachary J Metott et al.
Muhammadiqboli Musozoda et al.
Bacteria employ cyclopropane motifs as bioisosteres for unsaturations to modulate lipid bilayer fluidity and protect cellular membranes under environmental stress. Drawing inspiration from this biological strategy, we investigated how cyclo...
Bioactive Electrospun Polycaprolactone Films with Gallic Acid-Loaded Mesoporous Silica Nanoplatelets for Enhanced Seed Germination [0.03%]
负载没食子酸介孔硅纳米片的生物活性聚己内酯电纺薄膜促进种子萌发性能增强研究
Changliang An,Samuel A Oyon,Fei Zhang et al.
Changliang An et al.
Enhancing seed germination and promoting early seedling growth are among the primary objectives in advancing agricultural productivity. To address these needs, this study developed electrospun nanofiber films composed of polycaprolactone (P...
Bimetallic (Fe-Ga) Metal-Organic Frameworks for Tailoring Peroxidase-Like Activity: An Approach for Methane Partial Oxidation [0.03%]
用于定制类过氧化物酶活性的双金属（Fe-Ga）金属有机骨架：甲烷部分氧化的一种方法
Gustavo Felix Bitencourt,Luana Dos Santos Andrade,Wandson Lukas do Nascimento Amorim et al.
Gustavo Felix Bitencourt et al.
Controllable methane oxidation directly into higher-value-added products under mild conditions remains a challenge due to the stability of the C-H bond. To promote methane oxidation using metal-organic frameworks, it is still necessary to e...