Results 131 to 140 of about 392,552 (294)

3D‐Printed Sulfur‐Derived Polymers With Controlled Architectures for Lithium‐Sulfur Batteries

Advanced Functional Materials, EarlyView.
Rheology‐guided formulation design for direct ink writing enables the fabrication of 3D sulfur copolymer cathodes with controlled architectures for lithium‐sulfur batteries. The printed electrodes exhibit multiscale porosity and high sulfur utilization, delivering enhanced electrochemical performance compared to conventional cast electrodes.
Bin Ling, Haoran Wang, Pan Yang, Rishav Agrawal, Alex R. Neale, Laurence J. Hardwick, Tom Hasell, Esther García‐Tuñón   +7 more
wiley   +1 more source

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit. [PDF]

J Chem Theory Comput, 2023
Villard J, Bircher MP, Rothlisberger U.
europepmc   +1 more source

Smart, Bio‐Inspired Polymers and Bio‐Based Molecules Modified by Zwitterionic Motifs to Design Next‐Generation Materials for Medical Applications

Advanced Functional Materials, EarlyView.
Bio‐based and (semi‐)synthetic zwitterion‐modified novel materials and fully synthetic next‐generation alternatives show the importance of material design for different biomedical applications. The zwitterionic character affects the physiochemical behavior of the material and deepens the understanding of chemical interaction mechanisms within the ...
Theresa M. Lutz, Jonas De Breuck, Sahar Salehi, Meike N. Leiske   +3 more
wiley   +1 more source

DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes

E-Journal of Chemistry, 2010
Model calculations are performed to predict the nature of interaction between SWNT and a tripeptide (Lys-Trp-Lys) and to calculate the binding energies and charge transfer between these two species using density functional theory.
Navaratnarajah Kuganathan
doaj   +1 more source

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source

Auto‐Generated Valence States in Electrocatalysts for Boosting Oxygen and Hydrogen Evolution Kinetics in Alkaline Water/Alkaline Seawater/Simulated Seawater/Natural Seawater

Advanced Functional Materials, EarlyView.
This review systematically highlights the latest achievements in mixed‐valence states relevant to hydrogen and oxygen evolution reactions, providing essential insights into future directions and methods for large‐scale practical implementation. This critical review is expected to provide an overview of recent advancements in diverse valence‐state metal
Jitendra N. Tiwari, Gokul Bhaskaran, Krishan Kumar, Yun Suk Huh, Young‐Kyu Han   +4 more
wiley   +1 more source

Structural, Electronic and Topological Properties of Carboplatin Conjugate with Fullerenol

Доклады Белорусского государственного университета информатики и радиоэлектроники
The article presents the calculation of the structural and electronic characteristics of a conjugate consisting of the drug carboplatin (C6H12N2O4Pt) and a fullerenol (C60(OH)24) nanocarrier by the HF-3c method. Optimization of the geometric structure of
A. L. Pushkarchuk, T. V. Bezyazychnaya, V. I. Potkin, E. A. Dikusar, A. G. Soldatov, S. Ya. Kilin, A. P. Nizovtsev, S. A. Kutsen, D. V. Yermak, T. S. Pivovarchik, D. B. Migas, V. A. Kulchitsky   +11 more
doaj   +1 more source

Synthesis, Structure, Hirshfeld Surface Analysis, Non-Covalent Interaction, and In Silico Studies of 4-Hydroxy-1-[(4-Nitrophenyl)Sulfonyl]Pyrrolidine-2-Carboxyllic Acid. [PDF]

J Chem Crystallogr, 2023
Ugwu DI, Eze FU, Ezeorah CJ, Rhyman L, Ramasami P, Tania G, Eze CC, Uzoewulu CP, Ogboo BC, Okpareke OC.   +9 more
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Nanoscale Mapping of Plasmonic Charge Transport in Nano‐Resonators Based on Resistive Switching Materials

Advanced Functional Materials, EarlyView.
In this strategy, a conductive nano‐probe is employed to induce nanoscale phase transitions and map the nanoscale conductivity and trap density of GST films. By utilizing the contrasting properties of phase‐change states, nano‐resonators are fabricated that exhibit plasmonic conduction and dramatically different transport characteristics.
Sunwoo Bang, Seunghyo Park, Shashank Shekhar, Yuhyeon Oh, Seunghun Hong   +4 more
wiley   +1 more source