Results 181 to 190 of about 14,550,556 (255)

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

open access: yesAdvanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai   +3 more
wiley   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

open access: yesAdvanced 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

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

open access: yesAdvanced 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

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

open access: yesAdvanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su   +13 more
wiley   +1 more source

Hybrid HPC and Quantum Computing Framework for Multiscale Modeling of Chemical Systems. [PDF]

open access: yesJ Chem Theory Comput
Thacker JCR   +6 more
europepmc   +1 more source

Boosting Ferroelectricity: 2D and Polymer Ferroelectric Hybrids Enabling Ambipolar Nonvolatile MoS2 Memory Transistor

open access: yesAdvanced Science, EarlyView.
Two‐dimensional CuInP2S6 nanosheets are incorporated into a P(VDF‐TrFE) matrix to induce polarization‐cooperative ferroelectric coupling. The resulting P(VDF‐TrFE)/CuInP2S6 hybrid film exhibits reinforced ferroelectric ordering and reduced coercive electric fields compared with pristine P(VDF‐TrFE).
Yeonsu Jeong   +10 more
wiley   +1 more source

Home - About - Disclaimer - Privacy