Results 231 to 240 of about 545,451 (275)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Densimetry of diluted aqueous salt solutions and molecular dynamics simulations identify temperature-dependent differences between the hydration of anions and cations. [PDF]

Sci Rep
Onuk M, Stefaniuk A, Doroshenko I, Poznański J.   +3 more
europepmc   +1 more source

Encoding Magnetic Anisotropies in Digital Light Processing 3D Printing

Advanced Functional Materials, EarlyView.
A hybrid magnetic device—combining a coaxial coil within a nested Halbach array—is presented, integrated into a DLP 3D printer to enable spatially resolved magnetic field control. This system enables complex, multimodal responses by programming liquid crystal elastomer resins for magnetic and thermal actuation, and by inducing electrically conductive ...
Eléonore Aïdonidis, Andrea Cosola, Pierre Bourdon, Hichem Dammak, Marco Sangermano, Frédéric Demoly, Marco Faustini, Amélie Pérot, Didier Lairez, Rakine Mouhoubi, Sébastien Blanquer, Giancarlo Rizza   +11 more
wiley   +1 more source

Spectral methods for Neural Integral Equations. [PDF]

Ric Mat
Zappala E.
europepmc   +1 more source

Surface Diffusion in SnTe‐PbTe Monolayer Lateral Heterostructures

Advanced Functional Materials, EarlyView.
The lateral heterostructures between 2D materials often suffer from the interdiffusion at the interfaces. Here, a surface diffusion mechanism is found to be dominating at the interfaces between semiconducting SnTe and PbTe monolayers. Atomically sharp interfaces can be achieved by suppressing this diffusion process. ABSTRACT The construction of complex
Jing‐Rong Ji, Zi'Ang Gao, Shiva Prasad Poudel, Rui‐Qi Cao, Tianzhe Chen, Luxin Li, Chong Liu, Salvador Barraza‐Lopez, Stuart S. P. Parkin, Kai Chang   +9 more
wiley   +1 more source

Linear and weakly nonlinear stability analyses of Darcy Bénard convection with feedback control. [PDF]

Sci Rep
Siddheshwar PG, Revankar VV, Jagadeesh Kumar MS.   +2 more
europepmc   +1 more source

Upcycling of Disposable Face Masks into Water‐Resistant and Flame Retardant Foams

Advanced Functional Materials, EarlyView.
Disposable mask waste is upcycled into lightweight polypropylene‐based foams with tunable porosity and composite architectures reinforced by ear‐loop fibers. The sustainable solvent‐based process enables upcycling rates of 91% and solvent recovery of >90%.
Jingjing Pan, Erlantz Lizundia, Hao Jia, Lennart Bergström   +3 more
wiley   +1 more source

Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large molecules. [PDF]

Nat Commun
Schäfer T, Irmler A, Gallo A, Grüneis A.   +3 more
europepmc   +1 more source

Near‐Infrared Light‐Programmable Negative Differential Transconductance in Organic Electrochemical Transistors for Reconfigurable Logic

Advanced Functional Materials, EarlyView.
Organic electrochemical transistors based on a Near‐Infrared (NIR)‐responsive polymer p(C4DPP‐T) and iodide electrolyte exhibit optically programmable negative differential transconductance. NIR illumination triggers an iodine‐mediated redox process, enabling a transition from binary to ternary conductance states within a single‐layer device.
Debdatta Panigrahi, Christina J. Kousseff, Aristea Pavlou, Zeinab Hamid, Iain McCulloch, Fabrizio Torricelli, Paul W. M. Blom, Paschalis Gkoupidenis   +7 more
wiley   +1 more source