Results 271 to 280 of about 7,526,760 (331)

Mapping Still Matters: Coarse-Graining with Machine Learning Potentials. [PDF]

J Chem Inf Model
Görlich F, Zavadlav J.
europepmc   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

Quantum-secured routing in drone communication for 6G-enabled smart mobility. [PDF]

Sci Rep
Hafeez S, Abro GEM, Memon SA, Khan TA, Memon I, Nasir H.   +5 more
europepmc   +1 more source

Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities

Advanced Materials, EarlyView.
This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen, Zhanxi Fan, Jingjie Ge, Qiyuan He, Zhuangchai Lai, Jiawei Liu, Chaoliang Tan, Hua Zhang   +7 more
wiley   +1 more source

Computational parametric mapping of functional neuroimaging data. [PDF]

Imaging Neurosci (Camb)
Steinkamp SR, Chaker I, Hubert F, Meder D, Hulme OJ.   +4 more
europepmc   +1 more source

Rational Tuning of Hygroscopic Oscillation of Stacked Nanoflake Assemblies for Continuous Ambient Energy Harvesting

Advanced Materials, EarlyView.
Stacked nanoflake assembly (SNA) membranes can oscillate autonomously, offering opportunities for soft actuation and energy harvesting. This work uncovers the physical mechanism behind the sustained oscillation of SNA membranes in gradient humidity and identifies three governing dimensionless parameters, enabling rational design for optimizing SNA ...
Zijing Zhang, Jimin Fu, Gesa Zhang, Zhihua Liang, Boxun Zhang, Haimin Yao   +5 more
wiley   +1 more source

Hydration-Controlled Proton Transport in Respiratory Complex I. [PDF]

J Am Chem Soc
Choi JH, Voth GA.
europepmc   +1 more source

Double‐Transition‐Metal MXenes: Multimetallic 2D Platforms for Next‐Generation Biomedicine

Advanced Materials, EarlyView.
The present work explores recent progress in double‐transition‐metal MXenes and focuses on their potential as multifunctional biomedical nanoplatforms whose tunable optical, electronic, mechanical, and surface properties enable imaging, theranostics, antimicrobial activity, biosensing, tissue engineering, and drug delivery.
Parsa Namakiaraghi, Mohammad Mozafari, Masoud Soroush   +2 more
wiley   +1 more source

Galectin-3 Binds to the Allosteric Site and Activates Integrins αvβ3, αIIbβ3, and α5β1, and Lactose Inhibits This Activation. [PDF]

Biomolecules
Takada YK, Wan YY, Takada Y.
europepmc   +1 more source

Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs. [PDF]

J Phys Chem Lett
Faruque MO, Limbu DK, London N, Momeni MR.   +3 more
europepmc   +1 more source