Results 111 to 120 of about 219,323 (350)

Structural and dynamical properties of liquid Si. An orbital-free molecular dynamics study

, 2005
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation.
A. Delisle, C. Pilgrim, D. J. González, J. G. Cook, J. P. Boon, J. P. Gabathuler, J. P. Hansen, M. J. Stott, N. E. Cusak, N. Yoshimoto, P. Hohenberg, S. Hosokawa, S. Hosokawa, T. Iida, U. Balucani, V. V. Baidov, V. V. Baidov, Y. Waseda   +17 more
core   +1 more source

Controlled Aggregation of Pyrene‐Based Supramolecular Nanostructures for Light‐Driven Switchable H2 or H2O2 Production

Advanced Functional Materials, EarlyView.
This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri, Matilde Doardo, Ilaria Fortunati, Anna Fortunato, Elisabetta Collini, Francesca Arcudi, Luka Ðorđević   +6 more
wiley   +1 more source

Composition and Resulting Band Alignment at the TiO2/InP Heterointerface: A Fundamental Study Combining Photoemission Spectroscopy and Theory

Advanced Functional Materials, EarlyView.
The chemical composition and band alignment are systematically investigated at the TiO2/InP heterointerface. Thin TiO2 films are deposited by ALD on atomically ordered, P‐terminated p‐InP(100). By combining UPS, XPS, and ab initio molecular dynamics, the atomistic structure and electronic alignment are revealed.
Mohammad Amin Zare Pour, Muhammad Nawaz Qaisrani, Christian Höhn, Johannes Laurenz Wolf, Negin Mogharehabed, Jennifer Velazquez Rojas, Wolfram Jaegermann, Erich Runge, Roel van de Krol, Thomas Hannappel, Christian Dreßler, Agnieszka Paszuk   +11 more
wiley   +1 more source

On the Dynamical Ferromagnetic, Quantum Hall, and Relativistic Effects on the Carbon Nanotubes Nucleation and Growth Mechanism

, 2007
The mechanism of carbon nanotube (CNT) nucleation and growth has been a mystery for over 15 years. Prior models have attempted the extension of older classical transport mechanisms.
A.R. Biris, Alexandru S. Biris, Baker, Baker, Berger, Biris, Couteau, D. Lupu, De Martino, Dresselhaus, Enkeleda Dervishi, Iijima, Koshio, Kroto, Little, Little, Reginald B. Little, Schmitt, Thess, Tibbetts, Wang, Yang Xu, Yonei, Zhongrui Li, Zhou   +24 more
core   +1 more source

Repeatable mechanochemical activation of dynamic covalent bonds in thermoplastic elastomers

Chemical Communications, 2016
Repeated mechanical activation of diarylbibenzofuranone-based mechanophores incorporated in segmented polyurethane elastomers is demonstrated.
Keiichi Imato, Takeshi Kanehara, Shiki Nojima, Tomoyuki Ohishi, Yuji Higaki, Atsushi Takahara, Hideyuki Otsuka   +6 more
openaire   +3 more sources

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Dynamic Covalent Michael Acceptors to Penetrate Cells: Thiol‐Mediated Uptake with Tetrel‐Centered Exchange Cascades, Assisted by Halogen‐Bonding Switches

, 2022
Inga Shybeka, John R. J. Maynard, Saidbakhrom Saidjalolov, Dimitri Moreau, Naomi Sakai, Stefan Matile   +5 more
openalex   +2 more sources

Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels

Advanced Functional Materials, EarlyView.
Zinc(II) coordination complexes with tunable aryloxy‐imine ligands exhibit controllable supramolecular self‐assembly into hierarchical fibrous structures. Coordination‐driven stacking, not π–π interactions, enables gelation, dynamic assembly/disassembly, and enhanced nanomechanical properties.
Merlin R. Stühler, Hesam Makki, Dorothee Silbernagl, Mathias Dimde, Kai Ludwig, Bengt E. Tegner, Christopher Greve, Konstantin Rausch, Eva M. Herzig, Anna Köhler, Alex J. Plajer   +10 more
wiley   +1 more source

Substrate Stress Relaxation Regulates Cell‐Mediated Assembly of Extracellular Matrix

Advanced Functional Materials, EarlyView.
Silicone‐based viscoelastic substrates with tunable stress relaxation reveal how matrix mechanics regulates cellular mechanosensing and cell‐mediated matrix remodelling in the stiff regime. High stress relaxation promotes assembly of fibronectin fibril‐like structures, increased nuclear localization of YAP and formation of β1 integrin‐enriched ...
Jonah L. Voigt, Jens Timmer, Elisabetta Ada Cavalcanti‐Adam   +2 more
wiley   +1 more source

Emergence of Light‐Transforming Layered Hybrid Halide Perovskites

Advanced Functional Materials, EarlyView.
The emerging class of light‐transforming layered halide perovskite materials is reviewed, outlining challenges for their development and perspectives toward application in the future. Abstract Layered hybrid halide perovskites (LHPs) have attracted considerable attention in optoelectronics.
Ghewa AlSabeh, Jovana V. Milić
wiley   +1 more source