Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys
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
Replicable Bandits for Digital Health Interventions. [PDF]
Zhang KW +3 more
europepmc +1 more source
Interfacial Synergy in a Band‐Aligned Low‐Dimensional Heterojunction Toward Broadband Photodetection
Monolithically integrating sensing and communication, a Ta2NiSe5/Sb2Te3 heterojunction achieves visible‐to‐near‐infrared photovoltaics with high‐speed terahertz photo‐thermoelectric detection at room temperature. By engineering a Type‐II van der Waals heterojunction, we overcome the intrinsic spectral limitations and disparate physical requirements of ...
Yuanfeng Wen +20 more
wiley +1 more source
Unveiling Scale-Dependent Statistical Physics: Connecting Finite-Size and Non-Equilibrium Systems for New Insights. [PDF]
Pérez-Madrid A, Santamaría-Holek I.
europepmc +1 more source
Cyclic nucleotide‐gated (CNG) and hyperpolarization‐activated cyclic nucleotide‐gated (HCN) channels share substantial sequence and structural similarity but differ markedly in ion conductance and K+ selectivity. Microsecond‐scale atomistic MD simulations qualitatively reproduced the conductance differences observed in single‐channel recordings and ...
Haoran Liu +3 more
wiley +1 more source
A comparison of calcium sources for ion-trap loading via laser ablation. [PDF]
Smith DRH +8 more
europepmc +1 more source
Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications
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
A Mean Field Poisson-Boltzmann Theory Assessment of Copper Oxide Nanosheets Interaction Potential in Physiological Fluids. [PDF]
Amadu M, Raheem NM, Miadonye A.
europepmc +1 more source
The unique lamellar structure of the eutectic alloy promotes selective oxidation of Al initially, while lattice distortion‐induced diffusion suppression slows oxide growth during steady state. Combining these strategies, a Multi‐Principal Element Alloy with excellent oxidation resistance at 1200℃ was designed.
Xinyu Zhang +6 more
wiley +1 more source
A Computational Framework to Evaluate Interactions of BPA and Its Analogs with Human Liver X Receptor-Beta for Health Risk Assessment. [PDF]
Pathak RK, Kumar S, Kumar V.
europepmc +1 more source

