A Perturbation Model of Gradient Energy Anisotropy for Phase-Field Simulation of Ferroelectrics. [PDF]
Shi X +7 more
europepmc +1 more source
Ferroelectricity in thin HfO2‐based films offers great possibilities for next‐generation neuromorphic memory devices. There, the response to subcoercive voltage signals is driven by the movement of mobile interfaces and their interaction with crystal defects – a yet rather unexplored aspect, which we shed light on and gain new insights into the complex
Maximilian T. Becker +11 more
wiley +1 more source
Expanded Heisenberg Hamiltonians from a Mn/Bi DFT+U study on hexagonal antiferromagnet CaMn<sub>2</sub>Bi<sub>2</sub>: excitations and strain-controlled magnetic anisotropy switching. [PDF]
Aguilera-Del-Toro RH +5 more
europepmc +1 more source
Control of Polarization and Polar Helicity in BiFeO3 by Epitaxial Strain and Interfacial Chemistry
In BiFeO3 thin films, the interplay of interfacial chemistry, electrostatics, and epitaxial strain is engineered to stabilize homohelicity in polarization textures at the domain scale. The synergistic use of a Bi2O2‐terminated Aurivillius buffer layer and a highly anisotropic compressive epitaxial strain offers new routes to control the polar‐texture ...
Elzbieta Gradauskaite +5 more
wiley +1 more source
Organizational Principles of Biological Systems. [PDF]
Navarro-Quiroz RC +16 more
europepmc +1 more source
From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado +6 more
wiley +1 more source
Dynamical theory of high energy electron diffraction. Physical optics approach.
openaire +2 more sources
The negative electron affinity of diamond allows to emit highly reductive electrons. By introducing intra‐bandgap states and an optimized electron transfer mechanism by surface functionalization with Ru(bpy)3, the formation of solvated electrons is achieved upon solar irradiation.
Benjamin Kiendl +20 more
wiley +1 more source
Research on Multiscale Characterization and Computational Modeling/Simulation of Metallic Materials. [PDF]
Wang R, Li J.
europepmc +1 more source
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source

