Results 191 to 200 of about 4,935 (245)

Understanding alkali metal promotion in hydrogenation catalysis through Strong Metal-Base Interaction. [PDF]

Nat Commun
Jung M, Dickieson MP, Chen P, Goh CJG, Han P, Yao B, Li XC, Hattori H, He Q, Zhang YW, Lee K, Yan N.   +11 more
europepmc   +1 more source

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

A universal "Divide-and-conquer, precise reconstruction" strategy: Multiscale simulation-guided high-fidelity restoration and controlled release of rose aroma. [PDF]

Curr Res Food Sci
Liu C, Shi Q, Liu Y, Xu X, Wang S, Fan W, Qiao W, Chai G, Zhang Q.   +8 more
europepmc   +1 more source

Redesigning Interlayers for Anode‐Free Batteries: Harnessing Continuity and Metal Inventory

Advanced Energy Materials, EarlyView.
Interlayers for anode‐free batteries must provide continuous interfacial coverage while remaining thin enough to preserve the finite cathode‐derived active‐metal inventory. This Perspective couples thin‐film closure with stoichiometric active‐metal consumption to reveal practical design windows across chemistry, substrate roughness, cathode loading ...
Rosalía Cid, Lorenzo Fallarino
wiley   +1 more source

Nanocurvature-Activated Dipolar Polarization in M-N₄ Single-Atom Sites for High-Performance Electromagnetic Wave Absorption. [PDF]

Adv Sci (Weinh)
Sheng D, Cheng S, Zhang M, Zhang J, Zhu X, Li W, Zhang B, Xie A.   +7 more
europepmc   +1 more source

Challenges and enablers in fluidization technology

AIChE Journal, EarlyView.
Abstract Gas–solid fluidized beds provide excellent heat and mass transfer for high‐throughput operations from coating to catalytic conversion and underpin emerging low‐carbon technologies. Yet industrial reliability, scale‐up, and control lag scientific understanding, particularly as finer, stickier, and more variable feedstocks increasingly challenge
J. Ruud van Ommen, Jia Wei Chew
wiley   +1 more source

Phase-Tuning of Ru Nanostructures in Ru/ZrO₂ Catalysts for Controlling Radical and Nonradical Pathways of Peroxymonosulfate-Based Oxidation and Defluorination of a Fluorinated Anticancer Drug. [PDF]

ACS Appl Mater Interfaces
Park J, Bae S, Choi Y, Choe JK.
europepmc   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

Advanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong, Pu Wen, Zhiping Chai, Dunxuan Wu, Han Ding, Zhigang Wu   +5 more
wiley   +1 more source

Asymmetric Fe-Te Pairs Enhance Peroxymonosulfate Activation via Surface-Bound Hydroxyl Radicals Pathways. [PDF]

Angew Chem Int Ed Engl
Li X, Wang C, Sun Y, Wang S, Zheng M, Zhang T, Lee JM.   +6 more
europepmc   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

Advanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun, Tong Wu, Baian Chen, Zikang Li, Qiuyang Lu, Lu Lu, Hon Ho Wong, Cheuk Hei Chan, Bolong Huang   +8 more
wiley   +1 more source