Advanced Materials, EarlyView.Development of a novel method for synthesizing Ni single atom catalysts for highly selective electrochemical CO2 reduction in situ. This catalyst achieves 100% selectivity for CO and is formed in an industrially relevant cell architecture. Using post‐mortem XRD, STEM, and EDS and operando XAS, the identity of the active site and the mechanism behind ...
Ian Street +5 more
wiley +1 more source
Nonlinear rotational spectroscopy reveals many-body interactions in water molecules. [PDF]
Proc Natl Acad Sci U S A, 2021 Zhang Y +5 more
europepmc +1 more source
Breaking Bottlenecks in Solid Electrolyte Discovery With Large Artificial Intelligence Models
Advanced Materials, EarlyView.Large AI models are presented as a route to break key bottlenecks in solid electrolyte discovery by linking materials databases, machine‐learning interatomic potentials, large language models, and autonomous experiments. This perspective highlights how AI can accelerate the identification of solid electrolytes with fast ion transport, stable interfaces,
Eric Jianfeng Cheng +24 more
wiley +1 more source
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy. [PDF]
J Chem Theory Comput, 2023 Barone V, Fusè M, Lazzari F, Mancini G.
europepmc +1 more source
Robust Spin Splitting and Fermiology in the Layered Altermagnet CoNb4${\rm CoNb}_4$Se8${\rm Se}_8$
Advanced Materials, EarlyView.The emergence of an altermagnetic phase is demonstrated in the cobalt‐intercalated superconducting 2H‐NbSe2 polymorph. A combined theoretical and experimental approach directly probes the magnetism, the altermagnetic lifting of Kramers degeneracy, and the electronic phase space, establishing CoNb4Se8 as the first g‐wave altermagnetic layered material ...
Alessandro De Vita +47 more
wiley +1 more source
Chiral Phonon–Driven Ultrafast Spin Currents in a Non‐Magnetic Ferroelectric
Advanced Materials, EarlyView.Broadband terahertz emission spectroscopy shows signatures of ultrafast spin‐current generation in non‐magnetic ferroelectric β$\beta$’‐In2Se3${\rm In}_2{\rm Se}_3$. Reversal of the emitted field upon sample inversion and substitution of Pt with W indicates spin‐Hall‐mediated charge conversion, while polarization‐resolved measurements reveal ...
Thomas B. Gill +16 more
wiley +1 more source
Biomass DNA: An Emerging Building Block for Advanced Materials
Advanced Materials, EarlyView.Biomass DNA is rapidly emerging from its traditional role as a genetic blueprint to serve as a versatile abundant, highly programmable polymeric building block. This review highlights the transformation of macroscopic bulk biomass DNA into next generation of functional materials, spanning from dynamic hydrogels, sustainable bioplastics, and high ...
Yuwei Hu, Itamar Willner, Li Niu
wiley +1 more source
USING ROTATIONAL SPECTROSCOPY TO EXPLORE INTRAMOLECULAR DYNAMICS
, 2007 Author Institution: Department of Chemistry, University of Virginia, McCormick Rd., P.O. Box 400319, Charlottesville, VA 22904Pure rotational spectroscopy is a powerful tool in the study of the structure of molecules in the gas phase.
Pate, Brooks H.
core +1 more source
Synthesis of Ti2B2Clx MBenes in Molten Salts From Theoretical and Experimental Perspectives
Advanced Materials, EarlyView.By integrating a theoretical framework with experiments, Ti2InB2 was selectively etched with ZnCl2 to produce a multilayer (ml) Ti2B2Clx MBene. The In atoms are completely removed, with simultaneous incorporation of chlorine surface terminations. in situ x‐ray diffraction indicates a direct biphasic transformation from Ti2InB2 to ml‐MBene, with no ...
Rodrigo M. Ronchi +15 more
wiley +1 more source
Do Docking Sites Persist Upon Fluorination? The Diadamantyl Ether-Aromatics Challenge for Rotational Spectroscopy and Theory. [PDF]
Chemistry, 2021 Quesada-Moreno MM +5 more
europepmc +1 more source