Results 171 to 180 of about 19,539,893 (254)

Multiscale Machine Learning Prediction of Infrared Spectra of Solvated Molecules. [PDF]

J Chem Theory Comput
Mazzeo P, Cupellini L, Mennucci B.
europepmc   +1 more source

Beyond Nanoporosity: A CO2‐Conditioned Glassy Matrix Contributes to the Brittle‐to‐Ductile Transition of Nanocellular Polyetherimide

Advanced Materials, EarlyView.
The mechanical performance of nanocellular polyetherimide cannot be explained by nanoporosity alone. It is shown that CO2 saturation and desorption leave a distinct mechanical signature in the glassy matrix before foaming. This matrix contribution provides a new route to understand and optimize the brittle to ductile transition in nanocellular polymers.
Félix Lizalde‐Arroyo, Frederik Van Loock, Victoria Bernardo, Tuuli Peltola, René Bes, Alberto Tena, Miguel Ángel Rodríguez‐Pérez, Judith Martín‐de León   +7 more
wiley   +1 more source

Variational modeling and numerical simulations for evaporating thin droplets and coffee-ring effect. [PDF]

Eur Phys J E Soft Matter
Li Y, Zhao Q, Qian T.
europepmc   +1 more source

Ion Concentration and Voltage Imaging With Fluorescent Nanodiamonds

Advanced Materials, EarlyView.
We demonstrate reversible switching between the fluorescent NV0 and the dark NV+ state, in sub‐30 nm FNDs via surface oxidation and hydrogenation, respectively. In an electrochemical cell, we show that the fluorescence from hydrogenated particles enables all‐optical imaging of voltages and ion concentrations at the micrometer scale.
Patrick Voorhoeve, Alessandro Mameli, Hiroshi Abe, Takeshi Ohshima, Qiang Sun, Anita Quigley, Rob Kapsa, Nikolai Dontschuk, Philipp Reineck   +8 more
wiley   +1 more source

Why Computational Photochemistry Is Challenging and Will Probably Remain So: A Quantum Chemist's Perspective. [PDF]

Adv Sci (Weinh)
Dreuw A.
europepmc   +1 more source

Directing Near‐Perfect (001) Orientation in Wafer‐Scale BiOI Thin Films via Halide‐Mediated van der Waals Stacking

Advanced Materials, EarlyView.
Our work introduces a new framework that fundamentally changes how orientation in bismuth oxyhalide systems is approached. Comprehensive experiments, backed by theoretical models, reveal the pivotal role of halide anions to modify the van der Waals stacking energies required to direct orientation. Our method enables the fabrication of near perfect (001)
Gabriel Aygur, Ashakiran Maibam, Hayden Tuohey, Tony Nguyen, Mei Xian Low, Sumeet Walia, Zijun (June) Yong, Ravichandar Babarao, Daniel Gomez, Enrico Della Gaspera, Joel van Embden   +10 more
wiley   +1 more source

What is active wetting? [PDF]

Eur Phys J E Soft Matter
Thiele U.
europepmc   +1 more source

Side‐Chain‐Induced Interlayer Slipping in Metalloporphyrin COFs Enables Microenvironment and Spin‐State Regulation for Photocatalytic CO2 Reduction

Advanced Materials, EarlyView.
Alkoxy chain length drives a continuous transition from eclipsed AA to a serrated, slipped AA* configuration over Co‐porphyrin COFs. A moderate slip both contracts the pore channel to enrich CO2 and suppress hydrogen evolution, and enhances collective high‐spin of Co sites, which delivers a record CO production rate with high selectivity.
Jie He, Qingxuan Chen, Minxian Zhang, Wenhao Zhao, Aoni Xu, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +8 more
wiley   +1 more source

Predictive coding is not a theory of anticipation. [PDF]

Front Hum Neurosci
Brette R.
europepmc   +1 more source

Enhanced Mechanical Recycling of Polymer Mixtures by a Trifunctional Dynamic Crosslinker

Advanced Materials, EarlyView.
A self‐catalyzed, trifunctional dynamic crosslinker that incorporates three desired properties into one system and is compatible with reactive extrusion can compatibilize waste plastic mixtures containing high Tm polymers and impart the recycled mixtures with superior thermoset properties such as enhanced creep resistance and thermomechanical stability
Xavier Westworth, Essa Shamsan, Yunpeng Gao, Nevaya Carr, Eugene Y.‐X. Chen   +4 more
wiley   +1 more source