Results 281 to 290 of about 282,649 (341)

Generating New Coordination Compounds via Multireference Simulations, Genetic Algorithms, and Machine Learning: The Case of Co(II) and Dy(III) Molecular Magnets. [PDF]

JACS Au
Frangoulis L, Khatibi Z, Mariano LA, Lunghi A.   +3 more
europepmc   +1 more source

Rational Design of Printable Carbon Nanotube Transparent Conductive Films via Data‐Driven and Mechanistic Insights

Advanced Functional Materials, EarlyView.
A machine learning and simulation‐guided strategy is demonstrated for gentle, non‐sonication dispersion of carbon nanotubes, preserving structural integrity and performance. This approach enables transparent conductive films with low sheet resistance, high transmittance, and sub‐20 µm printability.
Ying Zhou, Ken‐ichi Nomura, Shun Muroga, Makoto Yoneya, Don N. Futaba, Takeo Yamada, Reiko Azumi, Kenji Hata   +7 more
wiley   +1 more source

Quantum phase constraints as the origin of zero-field splitting: the case of [Ni(Me₆tren)Cl](ClO₄). [PDF]

Sci Rep
Georgiev M, Chamati H.
europepmc   +1 more source

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

Advanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo, Nadine von Coelln, Benedikt Zerulla, Marjan Krstić, Christian Huck, Thomas G. Mayerhöfer, Christoph Krafft, Petra Tegeder, Carsten Rockstuhl, Christof Wöll   +9 more
wiley   +1 more source

Controlled Surface Engineering of Chitosan Hydrogels: Alkali/Urea Dissolution for Ratio-Specific Neodymium and Praseodymium Recovery. [PDF]

Polymers (Basel)
Earwood J, Deng B.
europepmc   +1 more source

Mini Review: Synergizing Driven Quantum Dynamics, AI, and Quantum Computing for Next-Gen Materials Science. [PDF]

J Phys Chem Lett
Akanbi OS, Shannon JP, Delhommelle J, Desgranges C.   +3 more
europepmc   +1 more source

Identifying grain boundary and intragranular pinning centres in Sm₂(Co,Fe,Cu,Zr)₁₇ permanent magnets to guide performance optimisation. [PDF]

Nat Commun
Giron S, Polin N, Adabifiroozjaei E, Yang Y, Maccari F, Kovács A, Almeida TP, Ohmer D, Üstüner K, Saxena A, Katter M, Radulov IA, Freysoldt C, Dunin-Borkowski RE, Farle M, Durst K, Zhang H, Alff L, Ollefs K, Xu BX, Gutfleisch O, Molina-Luna L, Gault B, Skokov KP.   +23 more
europepmc   +1 more source

Paradoxical Topological Soliton Lattice in Anisotropic Frustrated Chiral Magnets. [PDF]

Adv Sci (Weinh)
Banik S, Kiselev NS, Nandy AK.
europepmc   +1 more source

Role of Single-Ion Anisotropy in Stabilizing Higher-Order Skyrmion Crystals in D3d-Symmetric Magnets

Satoru Hayami
openalex   +1 more source

Towards a perfusion system for functional study of membrane proteins with independent control of the electrical and chemical transmembrane potential. [PDF]

Biophys Rev
Coculova Z, Berry RM.
europepmc   +1 more source