Results 91 to 100 of about 17,205 (253)

Discovery of Novel Materials with Giant Dielectric Constants via First‐Principles Phonon Calculations and Machine Learning

Advanced Intelligent Discovery, EarlyView.
We discovered novel materials with giant dielectric constants by combining first‐principles phonon calculations and machine learning. Screening 525 perovskites identified six candidates. RbNbO3 was synthesized under pressure and showed ε ≈ 800–1000. This validates our framework as a powerful tool for high‐performance dielectric materials discovery.
Hiroki Moriwake, Kazuki Shitara, Rie Yokoi, Takeharu Kato, Isao Tanaka, Ayako Yamamoto, Kimitoshi Murase, Yosuke Hamasaiki, Yoshitaka Ehara, Mitsuru Itoh   +9 more
wiley   +1 more source

Cobalt‐Catalyzed Radical Ligand Transfer (RLT) Enables Remote‐Markovnikov Hydroamination of Alkenes

Angewandte Chemie, EarlyView.
A cobalt‐catalyzed remote‐Markovnikov 1,3‐hydroamination of allyl carboxylates proceeds through MHAT, 1,2‐radical acyloxy migration (1,2‐RAM), and radical ligand transfer (RLT) from a Co‐N intermediate, providing protected amino alcohols. ABSTRACT Amino alcohols are prevalent in pharmaceuticals, agrochemicals, and functional materials, yet ...
Arman Khosravi, Ho Martin Yuen, Seth Fremin, Nuwan A. Pannilawithana, Nol Supasueb, Yu Zhang, Peng Liu, Ming‐Yu Ngai   +7 more
wiley   +2 more sources

Investigation of a bimetallic terbium(III)/copper(II) chemosensor for the detection of aqueous hydrogen sulfide

Beilstein Journal of Organic Chemistry
The chemosensor properties of a bimetallic terbium(III)/copper(II) complex functionalized with a 4-(2-pyridyl)-1,2,3-triazole ligand for the detection of Cu2+ ions and, aqueous and gaseous hydrogen sulfide was investigated.
Parvathy Mini, Michael R. Grace, Genevieve H. Dennison, Kellie L. Tuck   +3 more
doaj   +1 more source

Machine‐Learning‐Assisted Onset‐Time Determination in Transient Luminescence Thermometry

Advanced Intelligent Discovery, EarlyView.
Artificial neural networks enable autonomous extraction of onset times from transient heating curves in luminescence thermometry. Using Ln3+‐doped upconverting nanoparticles as luminescent thermometers, we combine experimental transients with physically motivated synthetic curves to enhance data diversity and improve generalization.
David J. Sousa, Erving Ximendes, Luís D. Carlos, Carlos D. S. Brites   +3 more
wiley   +1 more source

Dual Activation of H2 and CO2 by a Pincer‐Type Ni–Zn Heterobimetallic Complex

Angewandte Chemie, EarlyView.
A bimetallic Ni−Zn complex performs sequential activations of H2 (1 equiv) and CO2 (2 equiv). This bimetallic cooperativity is attributed to the weak Lewis acidic nature of Zn(II), which promotes fluxional ligand binding. Namely, an X‐type ligand at Ni, where X is hydride or formate, toggles between two different binding modes: bridging Zn(μ‐X)Ni and ...
Krishnendu Dey, Matthias Borowski, Gregor Schnakenburg, Connie C. Lu   +3 more
wiley   +2 more sources

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Tunable Oxygen Connectivity in Carbaporphyrinoid Polymers on Metal Surfaces

Angewandte Chemie, EarlyView.
Hydroxyl‐functionalized dicarbaporphyrinoid polymers synthesized on Au(111) enable tunable oxygen‐mediated connectivity under UHV conditions. Thermal activation yields one‐dimensional hydroxyl‐terminated polymers that can selectively evolve into either covalently‐linked dibenzo‐p‐dioxane architectures through intermolecular C–O–C coupling or two‐fold ...
Alberto Martínez‐Bajo, Maxence Urbani, Ana Barragán, Óscar Jover, Elena Pérez‐Elvira, Ilaria Tomei, Claudio Goletti, Alejandro Jiménez‐Martín, Aurelio Gallardo, Koen Lauwaet, David Écija, Diego Soler‐Polo, Marco Di Giovannantonio, Tomás Torres, José I. Urgel   +14 more
wiley   +2 more sources

Smart Bioinspired Material‐Based Actuators: Current Challenges and Prospects

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This work gathers, in a review style, an extensive and comprehensive literature overview on the development of autonomous actuators based on synthetic materials, bringing together valuable knowledge from several studies. Furthermore, the article identifies the fundamental principles of actuation mechanisms and defines key parameters to address the size
Alejandro Palacios, Léon Chiriatti, Simon Poppinga, Thomas Speck, Vincent Le Houérou   +4 more
wiley   +1 more source

Lanthanide lover [PDF]

Nature Chemical Biology, 2018
openaire   +2 more sources

Methods and Applications of Lanthanide/Transition Metal Ion-Doped Luminescent Materials

Molecules
Lanthanide/transition metal-doped luminescent materials are advanced materials with broad application potential. This type of material achieves control and optimization of luminescence performance by introducing lanthanide/transition metal ions into the ...
Xiaoyi Chen, Jiaqi Liu, Shujing Zhou, Zan Li, Min Yuan, Jinghui Shen, Yifan Zhang, Rongrong Ye   +7 more
doaj   +1 more source