Results 211 to 220 of about 78,287 (278)

An Extended Hückel Theory Parameter Set for Efficient Electronic Structure Calculations of SiGe Alloys

open access: yesphysica status solidi (RRL) – Rapid Research Letters, EarlyView.
A new parameterization of Si and Ge in the framework of the extended Hückel theory is presented. Bandgap and effective mass are calculated for unstrained and biaxially strained SiGe alloys. In SiGeC alloys with C atoms in close proximity, additional bands are observed, which are related to defect states in real crystals.
Daniel Dick   +3 more
wiley   +1 more source

Orbitally Driven Anomalous Thermal Transport Under High Pressure in Gallium Nitride

open access: yesRare Metals, EarlyView.
ABSTRACT Extreme conditions such as high pressure offer opportunities for innovative materials design and applications. For over a century, studies on thermal transport in crystals under high hydrostatic pressure have shown that lattice thermal conductivity generally exhibits a monotonic increase with pressure.
Zong‐Hao Yuan   +8 more
wiley   +1 more source

Tunable Ce‐Doping Engineering in TiFe‐Based Alloys for High‐Activation and High‐Durability Hydrogen Storage

open access: yesRare Metals, EarlyView.
ABSTRACT TiFe‐based hydrogen storage alloys have garnered significant attention because of their cost‐effectiveness, high hydrogen capacity, and favorable hydrogen absorption/desorption characteristics. However, practical application was limited by activation challenges and sensitivity to environmental poisoning.
Yuehai Li   +8 more
wiley   +1 more source

Charge Transport Across Single Molecules at the Metal–Superconductor Interface

open access: yesSmall, EarlyView.
The evolution of Andreev reflection in single‐molecule junctions is probed with the decreasing distance between a normal‐metal tip and a conventional superconductor. Andreev reflection becomes most effective when a molecular orbital straddles the Fermi level.
Lorenz Meyer   +5 more
wiley   +1 more source

Untangling the Mechanisms in Magneto‐Electrocatalytic Oxygen Evolution

open access: yesSmall, EarlyView.
Magnetic fields can enhance the oxygen evolution reaction in electrocatalytic water‐splitting for green‐H2. Yet, commercialization cannot be realized until the underlying magneto‐electric mechanisms are understood. This work uses reactor orientation to untangle these mechanisms. Lorentz force is shown to control metallic plates, while spin‐polarization
Amy Radford   +9 more
wiley   +1 more source

Correlation‐Driven d‐Band Modifications Promote Chemical Bonding at 3d‐Ferromagnetic Surfaces

open access: yesSmall, EarlyView.
Electron correlation at the oxygen‐passivated Fe(100) surface renormalizes and narrows the Fe d‐bands, enhancing their energetic overlap with the frontier orbitals of adsorbed pentacene. This strengthens hybridization and converts a weakly bound interface into a chemisorbed hybrid system, illustrating how correlation‐tuned d‐bands can be used to ...
David Maximilian Janas   +10 more
wiley   +1 more source

Tunable Colloidal Synthesis Enabling μ‐ARPES on Individual Bismuth Nanocrystals

open access: yesSmall, EarlyView.
We report a highly controlled colloidal synthesis of Bi nanosheets with tunable lateral sizes (0.6–4.1 µm), hexagonal shape, and a layered single‐crystalline structure along the {00l} planes. The nanosheets feature high phase purity and excellent ambient stability. Remarkably, O2 promotes larger lateral growth with ultra‐smooth surfaces. This scalable,
Fagui He   +6 more
wiley   +1 more source

Unlocking Klockmannite: Formation of Colloidal Quasi‐2D CuSe Nanocrystals and Photo‐Physical Properties Arising From Crystal Anisotropy

open access: yesSmall, EarlyView.
Thiol‐free hot injection approach yields quasi‐2D klockmannite CuSe nanocrystals, specifically nanosheets and uniform triangular nanoplatelets. This study reconsiders the klockmannite from the point of view of crystal anisotropy and demonstrates its effect on plasmonic response in the near‐infrared spectral region with the theoretical emergence of ...
Urvi Parekh   +10 more
wiley   +1 more source

Flexoelectric Polarization‐Enhanced Gd‐Based Nanoflowers for Efficient Phosphatase‐Mimicking Dephosphorylation

open access: yesSmall Structures, EarlyView.
Flexoelectric polarization is harnessed to dynamically enhance phosphatase‐mimicking catalysis in Gd‐based nanoflowers, enabling ultrasound‐responsive and efficient biophosphate ester hydrolysis through strain‐induced electronic modulation. Phosphatase‐mimicking nanozymes provide highly stable enzyme‐like activity but remain limited by their static ...
Linjing Su   +7 more
wiley   +1 more source

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