Results 71 to 80 of about 51,825 (244)
Advanced Materials Technologies, EarlyView.One‐dimensional C4N2H14PbBr4 is shown to have a quasi‐direct electronic band structure and strongly anisotropic transport with polarized broadband emission. A GW/Bethe–Salpeter excited‐state force formalism, supported by polarized Raman and temperature‐dependent photoluminescence, identifies low–frequency Pb–Br phonons that drive ultrafast exciton self‐
Rijan Karkee +7 more
wiley +1 more source
Broadband Directional Thermal Radiation with Asymmetric Femtosecond Laser‐Processed Surfaces
Advanced Optical Materials, EarlyView.Femtosecond laser processing is used to scalably create self‐organized angled microstructures which exhibit highly directional emissivity that occurs for all polarizations. Laser parameters are tuned to alter the surface features, control the direction of emission, and enhance the directional emissivity. Electromagnetic modeling is performed to analyze
Andrew Butler +8 more
wiley +1 more source
Exciton Radiative Lifetimes in Hexagonal Diamond Ge and SixGe1–x Alloys
Advanced Optical Materials, EarlyView.Strong room‐temperature photoluminescence reported in hexagonal Ge conflicts with theory predicting a nearly dark band edge. First‐principles calculations of excitonic radiative lifetimes fill a key gap in this debate, showing that pristine hexagonal Ge remains intrinsically weakly emissive, while Si alloying only modestly shortens the lifetime and ...
Michele Re Fiorentin +2 more
wiley +1 more source
Electronic Structure Reorganization in MPS3 via d‐Shell‐Selective Alkali Metal Doping
Advanced Science, EarlyView.Alkali metal doping of layered MPS3 antiferromagnets reveals d‐shell‐selective responses. While MnPS3 resists charge transfer due to its half‐filled 3d5 shell, FePS3 and NiPS3 behave similarly to CoPS3 by accommodating extra d‐electrons. Yet only CoPS3, with its least stable d‐shell, undergoes pronounced band restructuring and a semiconducting‐to ...
Jonah Elias Nitschke +12 more
wiley +1 more source
Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys
Advanced Science, EarlyView.This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin +11 more
wiley +1 more source
Inherently Disordered Auxetic Metamaterials
Advanced Science, EarlyView.Inherently disordered auxetic metamaterials based on random chiral Delaunay triangulations are designed and investigated using numerical simulations and experimental tests. These disordered frameworks exhibit orthotropic behavior and a large negative Poisson's ratio (ca.
Matteo Montanari +3 more
wiley +1 more source
Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications
Advanced Science, EarlyView.We developed a diffusion model–based generative AI and high‐throughput screening framework that accelerates the discovery of photovoltaic ferroelectrics. By coupling AI driven crystal generation with machine learning and DFT screening, we identified Ca3P2 and LiCdP as new ferroelectric materials exhibiting strong polarization, feasible switching ...
Byung Chul Yeo +3 more
wiley +1 more source
Isosteric Substitution Enables Rational Design of Two‐Dimensional Energetic Crystals
Advanced Science, EarlyView.Isosteric substitution transforms a classical nitro–amine motif into two‐dimensional aminofurazans with performance beyond TATB. ABSTRACT Two‐dimensional (2D) energetic crystals dissipate mechanical insult via interlayer slip, yet their molecular design space remains narrow.
Linyuan Wen +6 more
wiley +1 more source
Advanced Science, EarlyView.High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren +8 more
wiley +1 more source