Results 41 to 50 of about 87,265 (295)

Magnetic properties of quasi-one-dimensional lanthanide calcium oxyborates Ca$_4$LnO(BO$_3$)$_3$

, 2020
This study examines the lanthanide calcium oxyborates Ca$_4$LnO(BO$_3$)$_3$ (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Y, Er, Yb). The reported monoclinic structure (space group $Cm$) was confirmed using powder X-ray diffraction.
Dutton, Siân E., Kelly, Nicola D.
core   +1 more source

What Do Large Language Models Know About Materials?

Advanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer, Thomas Wallmersperger, Gianaurelio Cuniberti   +2 more
wiley   +1 more source

Application of Paramagnetic NMR-Validated Molecular Dynamics Simulation to the Analysis of a Conformational Ensemble of a Branched Oligosaccharide

Molecules, 2012
Oligosaccharides of biological importance often exhibit branched covalent structures and dynamic conformational multiplicities. Here we report the application of a method that we developed, which combined molecular dynamics (MD) simulations and ...
Koichi Kato, Takumi Yamaguchi, Ying Zhang, Sayoko Yamamoto   +3 more
doaj   +1 more source

Interaction of a symmetrical α,α',δ,δ'-Tetramethyl-cucurbit[6]uril with Ln³⁺ : potential applications for isolation of lanthanides [PDF]

, 2016
The interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril (TMeQ[6]) with a series of lanthanide cations (Ln³⁺) was investigated in neutral water and in acidic solution.
Gao, Zhong-Zheng, Lu, Ji-Hong, Prior, Timothy J., Redshaw, Carl, Tao, Zhu, Wei, Gang, Xiao, Xin, Xue, Sai-Feng, Yang, Bo, Zhu, Qian-Jiang   +9 more
core   +1 more source

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source

Optical Properties of Heavily Fluorinated Lanthanide Tris β-Diketonate Phosphine Oxide Adducts

Inorganics, 2016
The construction of lanthanide(III) chelates that exhibit superior photophysical properties holds great importance in biological and materials science.
Adam N. Swinburne, Madeleine H. Langford Paden, Tsz Ling Chan, Simon Randall, Fabrizio Ortu, Alan M. Kenwright, Louise S. Natrajan   +6 more
doaj   +1 more source

Functionalized Tris(anilido)triazacyclononanes as Hexadentate Ligands for the Encapsulation of U(III), U(IV) and La(III) Cations

Inorganics, 2021
Tripodal multidentate ligands have become increasingly popular in f-element chemistry for stabilizing unusual bonding motifs and supporting small molecule activation processes.
Alasdair Formanuik, Fabrizio Ortu, Iñigo J. Vitorica-Yrezabal, Floriana Tuna, Eric J. L. McInnes, Louise S. Natrajan, David P. Mills   +6 more
doaj   +1 more source

Spectroscopy of high-energy states of lanthanide ions [PDF]

, 2010
We discuss recent progress and future prospects for the analysis of the 4f${N-1}$5d excited states of lanthanide ions in host materials. Ab-initio calculations for Ce$^{3+}$ in LiYF$_4$ are used to estimate crystal-field and spin-orbit parameters for the
Adachi, Andriesson, Barandiaran, Beurer, Bryson, Burdick, Burdick, Carnall, Carnall, Dieke, Dorenbos, Dorenbos, Dorenbos, Dorenbos, Duan, Duan, Elias, Garcia, Grinbeg, Görller-Walrand, Heaps, Hurtubise, Judd, Karbowiak, Laroche, Lee, Liu, Liu, Malkin, McClure, Ofelt, Ogasawara, Ogasawara, Pan, Pascual, Pedrini, Peijzel, Piper, Reid, Reid, Reid, Rosen, Ruiperez, Schesinger, Sánchez-Sanz, Valiente, van Pieterson, van Pieterson, van Pieterson, Wang, Watanabe, Wybourne, Xia, Ying   +53 more
core   +1 more source

NanoMOF‐Based Multilevel Anti‐Counterfeiting by a Combination of Visible and Invisible Photoluminescence and Conductivity

Advanced Functional Materials, EarlyView.
This study presents novel anti‐counterfeiting tags with multilevel security features that utilize additional disguise features. They combine luminescent nanosized Ln‐MOFs with conductive polymers to multifunctional mixed‐matrix membranes and powder composites. The materials exhibit visible/NIR emission and matrix‐based conductivity even as black bodies.
Moritz Maxeiner, Ruben Maile, Murat Cuvalli, Andreas Wolf, Ayisha Komal, Robert Oestreich, Christoph Janiak, Karl Mandel, Alexander Knebel, Klaus Müller‐Buschbaum   +9 more
wiley   +1 more source

A sandwiched luminescent heterostructure based on lanthanide‐doped Gd2O2S@NaYF4 core/shell nanocrystals

Aggregate, 2023
Lanthanide (Ln3+) oxysulfide nanocrystals (NCs) have great prospect in many advanced technologies; however, they suffer from a low photoluminescence efficiency due to the volatility of sulfur and deleterious surface quenching effect.
Dengfeng Yang, Wei Zheng, Ping Huang, Meiran Zhang, Wei Zhang, Zhiqing Shao, Wen Zhang, Xiaodong Yi, Xueyuan Chen   +8 more
doaj   +1 more source