Results 101 to 110 of about 1,445,170 (202)

Nanoscale Agglomeration Mechanisms of BF‐DPB:BPyMPM Donor–Acceptor Systems for Organic Optoelectronic Devices

Advanced Functional Materials, EarlyView.
The intermolecular and molecule‐substrate interactions and resulting molecular assembly of the OLED and OPV donor and acceptor molecules BF‐DPB and BPyMPM are investigated on different single crystalline substrates using high‐resolution scanning probe microscopy.
Milena Merkel, Philipp Wiesener, Robert Schmidt, Rishi Shivhare, Nikos Doltsinis, Rudolf Bratschitsch, Saeed Amirjalayer, Koen Vandewal, Harry Mönig   +8 more
wiley   +1 more source

A novel non-adiabatic spin relaxation mechanism in molecular qubits [PDF]

arXiv
The interaction of electronic spin and molecular vibrations mediated by spin-orbit coupling governs spin relaxation in molecular qubits. I derive an extended molecular spin Hamiltonian that includes both adiabatic and non-adiabatic spin-dependent interactions, and I implement the computation of its matrix elements using state-of-the-art density ...
arxiv  

Toward Architected Microstructures Using Advanced Laser Beam Shaping in Laser Powder Bed Fusion of Ti‐6Al‐4V

Advanced Functional Materials, EarlyView.
This research applies advanced laser beam shaping (LCoS‐SLM) to fabricate the Ti‐6Al‐4V alloy via laser powder bed fusion. A tailored beam is used to prevent martensite formation and create a dual α+β microstructure by controlling cooling rates.
Reza Esmaeilzadeh, Jamasp Jhabvala, Lucas Schlenger, Mathijs van der Meer, Eric Boillat, Cyril Cayron, Amir Mohammad Jamili, Junfeng Xiao, Roland E. Logé   +8 more
wiley   +1 more source

XUV Opacity of Aluminum between the Cold-Solid to Warm-Plasma Transition

, 2009
We present calculations of the free-free XUV opacity of warm, solid-density aluminum at photon energies between the plasma frequency at 15 eV and the L-edge at 73 eV, using both density functional theory combined with molecular dynamics and a semi ...
Audebert, P., Desjarlais, M. P., Gregori, G., Lee, R. W., Nagler, B., Vinko, S. M., Wark, J. S., Whitcher, T. J.   +7 more
core  

Sonochemical Functionalization of Glass

Advanced Functional Materials, EarlyView.
A new method for functionalizing glass using ultrasonication of aryl diazonium salts. Aryl radicals generated by ultrasounds react with glass, forming a stable, covalently bonded organic film. The functionalized glass adheres microorganisms such as microalgae, fungi, and bacteria, suggesting potential applications in enzyme production, filtration ...
Tiexin Li, Zane Datson, Sufia Hena, Steven Chang, Shane Werry, Leqi Zhao, Nasim Amiralian, Tejas Bhatelia, Francisco J. Lopez‐Ruiz, Melanie MacGregor, K. Swaminathan Iyer, Simone Ciampi, Muhammad J. A. Shiddiky, Nadim Darwish   +13 more
wiley   +1 more source

Vivid Structural Coloration in Transparent MXene‐Cellulose Nanocrystals Composite Films

Advanced Functional Materials, EarlyView.
Vivid structural coloration in reflectance and high transparency in transmittance modes are observed in biopolymer‐layered composite films. The ultrathin multilayered structures have unique optical appearance, near‐infrared bandgap, and strong optical reflection caused by alternating MXene and cellulose nanocrystals layers with high refractive index ...
Botyo Dimitrov, Valeriia Poliukhova, Claire Joo, Madeline Buxton, Irina Roslyk, Yury Gogotsi, Jacob Crossno, Kirt A. Page, Hilmar Koerner, Dhriti Nepal, Michael E. McConney, Timothy J. Bunning, Vladimir V. Tsukruk   +12 more
wiley   +1 more source

Electric Pulse Regulated MXene Based Nanozymes for Integrative Bioelectricity Immuno‐Cancer Therapy

Advanced Functional Materials, EarlyView.
MXenzyme‐mediated bioelectricity cancer therapy (MXenzyme‐BECT) enhances cancer cell death through irreversible depolarization, ion channel disruption, ROS generation, and immunogenic cell death. Computational simulations reveal the electrical mechanisms by which MXenzyme acts on single cells and support to predict treatment parameters. Next‐generation
Sanghee Lee, Seongchan Kim, Eui‐Sang Yu, Sian Lee, Min Jun Ko, Hyojin Lee, Dong‐Hyun Kim   +6 more
wiley   +1 more source

A String-Graph Approach to Molecular Geometry [PDF]

arXiv
Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe molecular geometry include the Valence Shell Electron Pair Repulsion (VSEPR) theory, hybridization theory, and molecular
arxiv  

Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst

Advanced Functional Materials, EarlyView.
This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu, Hao Wu, Hoi Ying Chung, Yun Hau Ng   +3 more
wiley   +1 more source

Big Data meets Quantum Chemistry Approximations: The $\Delta$-Machine Learning Approach

, 2015
Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry.
Dral, Pavlo O., Ramakrishnan, Raghunathan, Rupp, Matthias, von Lilienfeld, O. Anatole   +3 more
core