Results 111 to 120 of about 80,670 (263)

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

Sparse Pd–Te Covalent Bridges Drive Anomalous Bulk‐to‐Monolayer Electronic and Magnetic Evolution in FePd2Te2

Advanced Science, EarlyView.
Bulk FePd2Te2 contains sparse interlayer Pd–Te covalent bonds, giving it unexpectedly low exfoliation energy and enabling van der Waals‐like exfoliation. Cleaving these bonds during exfoliation makes the monolayer magnetically distinct from the bulk: magnetic anisotropy energy increases, and the strain‐response coefficient of the magnetic moment ...
Huaiyuan Zhao, Jianwen Fang, Mohan Luo, Yinuo Ye, Yulin Wang, Jianhui Yang, Hongwen Zhang, Peng Cheng   +7 more
wiley   +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

Uncertainty‐Aware Deep Ensembles for Robust and Reliable Chemical Sensor Arrays

Advanced Science, EarlyView.
A reliability‐aware electronic nose is developed using photothermally anchored metal‐catalyst decorated metal oxide nanofiber sensor arrays combined with deep ensemble learning. Diverse catalytic nanofiber channels generate gas‐specific response patterns, enabling selective identification and quantification of sulfur‐containing gases.
Sungwoo Eo, Ji‐Hwan Eum, Suk‐Jeong Kwon, Minji Sagong, Dongchan Kim, Dong‐Ha Kim   +5 more
wiley   +1 more source

Dual‐Module Near‐Infrared Fluorophores Discovery System via Knowledge Transfer

Advanced Science, EarlyView.
This study presents a dual‐module deep learning system for the design of near‐infrared (NIR) fluorophores. A large molecular library is generated and analyzed, leading to the suggestions of promising candidates. The effectiveness of the system is further validated through the synthesis, characterization, and in vivo imaging, demonstrating its potential
Yixin Zhu, Xia Ling, Xianhe Zhang, Chuanjiang Jian, Leilei Shi, Wentao Song, Xiaonan Wang, Bin Liu   +7 more
wiley   +1 more source

Study on the Characteristics of MBN and MAE Signals in P92 Steel. [PDF]

Materials (Basel)
Huang Z, Pang X, Zheng X, She S, Liu X, Yin W, Peng L.   +6 more
europepmc   +1 more source

Causal‐Guided Ultra‐Long‐Term Time Series Forecasting Via Anticipated Covariates

Advanced Science, EarlyView.
Often treated as unknown, information from the future remains underutilized.We demonstrate that in a coupled dynamical system, providing the future state of the effect enables accurate forecasting of the cause for a long timesteps. A time series forecasting paradigm that introduces anticipated covariates to represent such known future states is ...
Jintong Zhao, Yufei Liu, Ruixi Huang, Zhongxue Gan, Siyang Leng   +4 more
wiley   +1 more source

Impact of Salvadora persica aqueous extract on follicular development in female rats. [PDF]

Biol Res
Ghareeb SM, Abd-Elkareem M, Abou-Elmagd A.   +2 more
europepmc   +1 more source

Correcting Apparent Priming Bias Unveils Fertilizer Nitrogen‐Risk Archetypes of Surplus and Depletion Across Asian Rice Systems

Advanced Science, EarlyView.
Correcting the apparent priming effect resolves systematic biases in Asian rice fertilizer nitrogen accounting. Net soil retention drops below 7%, while 48% of fertilizer escapes, inflicting US$98.53 billion in annual reactive‐nitrogen damages. High‐resolution mapping uncovers N‐risk archetypes across 42% of the rice area, delivering a spatially ...
Xiuyun Liu, Siyuan Cai, Longlong Xia, Jagdish K. Ladha, Xiaoyuan Yan, Xu Zhao   +5 more
wiley   +1 more source

POET: A Software Suite for Mapping the Site-Specific Electronic Origins of Magnetic Anisotropy. [PDF]

J Phys Chem A
Navrátil J, Błoński P.
europepmc   +1 more source