Results 171 to 180 of about 773,050 (248)

Exploring the Structural and Electronic Properties of Niobium Carbide Clusters: A Density Functional Theory Study. [PDF]

Molecules
Li HF, Wang HQ, Zhang YK.
europepmc   +1 more source

A Sequential Quadratic Numerical Optimization Technique to Compute Critical Flutter Speeds

International Journal for Numerical Methods in Engineering, Volume 127, Issue 17, 15 September 2026.
ABSTRACT A stable sequential quadratic numerical optimization technique is proposed to compute critical flutter speeds without resorting to complex algebra. The solution of the traditional eigenproblem stated in the frequency domain, and whose complex conjugate eigenvalues provide insights on the stability of the dynamic aeroelastic response, is ...
Alfredo R. de Faria
wiley   +1 more source

Embracing virtual reality in rehabilitation of post-stroke aphasia. [PDF]

Digit Health
Kljajevic V.
europepmc   +1 more source

Progressive Dehydrogenation of LiNH2 Materials on Ru(0001) Based on ab initio Interface Models

Journal of Computational Chemistry, Volume 47, Issue 23, September 5, 2026.
Density Functional Theory models of Ru(0001) interfaced with LiNH2, Li2NH, and Li3N show how progressive dehydrogenation stabilizes Li–N–H/Ru interfaces. Calculations using GGA–PBE and PBE–dDsC functionals show that (100) surface orientations minimize lattice mismatch with Ru, thus promoting interface formation.
Justine Dorival, Jérôme Delmas, David Loffreda   +2 more
wiley   +1 more source

Some Open Mathematical Problems on Fullerenes. [PDF]

J Chem Inf Model
Bille A, Buchstaber V, Spodarev E.
europepmc   +1 more source

Opportunities of Semiconducting Oxide Nanostructures as Advanced Luminescent Materials in Photonics

Advanced Materials, Volume 38, Issue 51, 11 September 2026.
The review discusses the challenges of wide and ultrawide bandgap semiconducting oxides as a suitable material platform for photonics. They offer great versatility in terms of tuning microstructure, native defects, doping, anisotropy, and micro‐ and nano‐structuring. The review focuses on their light emission, light‐confinement in optical cavities, and
Ana Cremades, Pedro Hidalgo, David Maestre, Ruth Martínez‐Casado, Emilio Nogales, Beatriz Rodríguez, G. Cristian Vásquez, Bianchi Méndez   +7 more
wiley   +1 more source

Maximum Betti Numbers of Čech Complexes. [PDF]

Discrete Comput Geom
Edelsbrunner H, Pach J.
europepmc   +1 more source

Flexoelectrically Induced Polar Topology in Twisted SrTiO3 Membranes

Advanced Materials, Volume 38, Issue 51, 11 September 2026.
Twisted SrTiO3 bilayers host polar vortices of flexoelectric origin, revealed through combined experiment and theory. By reconstructing polarization from the toroidal moment of strain gradients, the work establishes a 3D chiral state with broken inversion and mirror symmetries.
Isabel Tenreiro, Hugo Aramberri, Víctor Rouco, Gabriel Sánchez‐Santolino, Mariona Cabero, Fernando Gallego, David Sánchez‐Manzano, José M. González‐Calbet, Federico Mompeán, Mar García‐Hernández, Alberto Rivera‐Calzada, Jorge Íñiguez‐González, Carlos León, Jacobo Santamaría   +13 more
wiley   +1 more source

Photodoping in Wide‐Bandgap Perovskite Solar Cells With MXenes

Advanced Optical Materials, Volume 14, Issue 33, 4 September 2026.
Ultrafast tandem spectroscopy and DFT modeling reveal the separate dynamics and the imbalance of electrons and holes in wide bandgap perovskite solar cells with MXene incorporation. The enhanced photoconversion performances of the devices are traced to photodoping, with selective hole trapping and suppressed recombination of electrons.
Angelica Simbula, Antonio Agresti, Sara Pescetelli, Sofia Sechi, Nicola Sestu, Francesco Mattana, Federico Pitzalis, Riccardo Pau, David Dell'Angelo, Alessio Filippetti, Alessandro Mattoni, Anna Pazniak, Daniela Marongiu, Valeria Demontis, Francesco Quochi, Michele Saba, Andrea Mura, Giovanni Bongiovanni   +17 more
wiley   +1 more source