Results 211 to 220 of about 2,781,976 (300)

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

Advanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

Thermodynamics à la Souriau on Kähler Non-Compact Symmetric Spaces for Cartan Neural Networks. [PDF]

Entropy (Basel)
Fré PG, Sorin AS, Trigiante M.
europepmc   +1 more source

Interpretable Machine Learning Framework for Nb─Si Based Alloy Design with Enhanced Fracture Toughness

Advanced Science, EarlyView.
An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen, Chao Xu, Jingyue Yu, Qi Wang, Hongze Fang, Shuo Yin, Turab Lookman, Ruirun Chen   +7 more
wiley   +1 more source

Application of Local Approaches to Crack Development in Structural Materials. [PDF]

Materials (Basel)
Kozák V, Vala J.
europepmc   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Crossing the Widom Line: Evolution of Cohesive Strength and Cavity Formation in Supercritical Water. [PDF]

J Phys Chem Lett
Niu J, Zhao Q, Adams MJ, Lu H, Chen Y, Wang X, Jin H, Guo L.   +7 more
europepmc   +1 more source

Machine Learning‐Assisted KCl‐CaCl2‐LiCl Electrolyte Design for Low‐Temperature, High‐Performance Calcium‐Based Liquid Metal Batteries

Advanced Science, EarlyView.
A machine learning‐assisted framework optimizes the KCl‐CaCl2‐LiCl ternary electrolyte. The optimized 13:35:52 mol% composition enables Ca‐based liquid metal batteries to operate stably at 480 °C, with >99.5% coulombic efficiency, ultralow self‐discharge, and excellent cycling stability, advancing low‐temperature large‐scale energy storage.
Xinglin Zhou, Lei Huang, Yan Zhou, Xiaohui Ning   +3 more
wiley   +1 more source

A unified machine-learning framework for ab initio multiscale modeling of liquids. [PDF]

Proc Natl Acad Sci U S A
Bui AT, Cox SJ.
europepmc   +1 more source

Efficient and Stable MA‐Free Sn─Pb Perovskite Solar Cells With Exceptional VOC by Bioavailable Phytophenol Sinapic Acid

Advanced Science, EarlyView.
Sinapic acid, a bio‐derived phytophenol, serves as a multifunctional additive for methylammonium (MA)‐free Sn─Pb perovskites, coordinating with Sn2+/Pb2+ to regulate crystallization and mitigate defects. Its electron‐rich groups suppress Sn oxidation and passivate deep traps, improving band alignment and reducing VOC losses. Resulting devices achieve a
Seojun Lee, Padmini Pandey, Dong Gyu Lee, Tae‐Gyeong Lee, Saemon Yoon, Insub Noh, Sang Wook Park, Jun Ryu, SungWon Cho, Dong‐Gun Lee, Hyung Do Kim, Tae Kyung Lee, Dong‐Won Kang   +12 more
wiley   +1 more source

Defect-mediated regulation of interfacial hydrophobic transport <i>via</i> cavitation thermodynamics. [PDF]

Chem Sci
Zhang L, Liu G, Ma X, Allangawi A, Li WL.   +4 more
europepmc   +1 more source