Results 21 to 30 of about 927 (178)

Electronic Structure and Bonding of Lanthanoid(III) Carbonates

, 2012
International audienceQuantum chemical calculations were employed to elucidate the structural and bonding properties of La(III) and Lu(III) carbonates.
Martelli, Fausto, Mirò, Pere, Jeanvoine, Yannick, Cramer, Christopher J., Spezia, Riccardo   +4 more
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

Hydration properties of Lanthanoid(III) carbonate complexes in liquid water determined by polarizable molecular dynamics simulations.

, 2014
International audienceIn this work we have studied the structure and dynamics of complexes formed by three and four carbonates and a central lanthanoid(III) ion in liquid water by means of polarizable molecular dynamics simulations. With this aim we have
Martelli, Fausto, Vuilleumier, Rodolphe, Vercouter, Thomas, Jeanvoine, Yannick, Spezia, Riccardo, Beuchat, Cesar   +5 more
core   +1 more source

Orbital Geometry‐Governed Response of Pressure‐Tunable Quantum Defects in hBN

Advanced Functional Materials, EarlyView.
Defects in hBN act as ultrasensitive quantum manometers when the energy of the intradefect optical transitions is modified by lattice compression. The orbital geometry of the electron wave functions governs how electron hopping and Coulomb interactions react uniquely to the reduction of the van der Waals gap and in‐plane compression, leading to robust ...
Magdalena Grzeszczyk, Danis I. Badrtdinov, Kenji Watanabe, Takashi Taniguchi, Cyrus E. Dreyer, Malte Rösner, Maciej Koperski   +6 more
wiley   +1 more source

Trinuclear and mononuclear lanthanoid complexes containing 2-Methyl-8-quinolinolate: synthesis, structures, and magnetic properties

, 2019
Two series of new lanthanoid complexes containing 2-methyl-8-quinolinolate (MQ(-)) have been prepared at elevated temperatures. Lighter elements yield trinuclear complexes [Ln(3)(MQ)(9)(HMQ)]5H(2)O3MeOH (1Ln, where Ln = Pr, Eu, Gd, Tb, Dy and Ho) by ...
Wasinee Phonsri, Phonsri, Wasinee, Deacon, Glen B., Peter C. Junk, Nurul F. Ghazali, Murray, Keith S., Ghazali, Nurul F., Junk, Peter C., Turner, David R., Keith S. Murray, Glen B. Deacon, David R. Turner   +11 more
core   +1 more source

Ultrasensitive Anti‐Stokes Luminescence Thermometry in Transition Metal Dichalcogenide Monolayers

Advanced Functional Materials, EarlyView.
We demonstrate a highly sensitive nanothermometer using anti‐Stokes photoluminescence, also known as photoluminescence upconversion (UPL), in monolayer tungsten disulfide. A strong resonantly enhanced UPL is observed, confirming the central role of optical phonons in the PL upconversion mechanism.
Sharada Nagarkar, Fahrettin Sarcan, Elanur Hut, Emiliano R. Martins, Stuart A. Cavill, Thomas F. Krauss, Yue Wang   +6 more
wiley   +1 more source

Supramolecular assemblies of p-sulfonatocalix[4]arene with aquated trivalent lanthanide ions

, 2002
New structural motifs incorporating trivalent lanthanoid ions and p-sulfonatocalix[4]arene, derived from solutions with or without potential host molecules for the calixarene, notably 18-crown-6, 1-aza-18-crown-6, and cryptand[2.2.2], have been ...
Len Barbour (20810465), H.R. Webb (21360200), S. Dalgarno (21360260), J.L. Atwood (21359753), C.L. Raston (21360008)   +4 more
core   +2 more sources

Self‐Cooling Molecular Spin Qudits

Advanced Materials, EarlyView.
A material made of [GdEr] molecular dimers can encode a qudit and perform as a magnetic refrigerant. Microwave resonant pulses coherently manipulate its 16 spin states, while direct demagnetization measurements cool the material and a device down to temperatures below 1 K.
Elías Palacios, David Aguilà, David Gracia, Diamatoula Maniaki, Leoní A. Barrios, Alessandro Chiesa, Jesús I. Martínez, Valentin Novikov, Olivier Roubeau, Stefano Carretta, Marco Evangelisti, Guillem Aromí, Fernando Luis   +12 more
wiley   +1 more source

Steric modulation of coordination number and reactivity in the synthesis of Lanthanoid(III) formamidinates

, 2007
The definitive version may be found at www.wiley.comReactions of a range of the readily prepared and sterically tunable N,N'-bis(aryl)formamidines with lanthanoid metals and bis(pentafluorophenyl)mercury (Hg(C6F5)2) in THF have given an extensive series ...
Forsyth, C., Deacon, G., Junk, P., Cole, M., Wang, J., Konstas, K.   +5 more
core   +1 more source

Opportunities of Semiconducting Oxide Nanostructures as Advanced Luminescent Materials in Photonics

Advanced Materials, EarlyView.
The review discusses the challenges of wide and ultrawide bandgap semiconducting oxides as a suitable material platform for photonics. They offer great versatility in terms of tuning microstructure, native defects, doping, anisotropy, and micro‐ and nano‐structuring. The review focuses on their light emission, light‐confinement in optical cavities, and
Ana Cremades, Pedro Hidalgo, David Maestre, Ruth Martínez‐Casado, Emilio Nogales, Beatriz Rodríguez, G. Cristian Vásquez, Bianchi Méndez   +7 more
wiley   +1 more source