Results 41 to 50 of about 50,397 (308)
Scientific Reports, 2023 Noble gases possess extremely low reactivity because their valence shells are closed. However, previous studies have suggested that these gases can form molecules when they combine with other elements with high electron affinity, such as fluorine.
Jaeeun Kang +4 more
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Synchrotron Radiation for Quantum Technology
Advanced Functional Materials, EarlyView.Materials and interfaces underpin quantum technologies, with synchrotron and FEL methods key to understanding and optimizing them. Advances span superconducting and semiconducting qubits, 2D materials, and topological systems, where strain, defects, and interfaces govern performance.
Oliver Rader +10 more
wiley +1 more source
Do the basic crystal chemistry principles agree with a plethora of recent quantum chemistry data?
IUCrJ, 2018 The main descriptors of chemical bonding such as bond order (BO) and electron density at the bond critical point, ρc, are customarily used to understand the crystal and electronic structure of materials, as well as to predict their reactivity and ...
Elena Levi, Doron Aurbach, Carlo Gatti
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Advanced Functional Materials, EarlyView.Coating the standard polypropylene separator with a porous red phosphorous nanosheet greatly improves cycling performance in Li electrode cells. The phosphorus‐based surface chemistry deactivates electrolyte solvent decomposition and enhances the cleavage of F‐containing salt, resulting in an inorganic‐dominated electrolyte interphase (SEI) composition
Jiangpeng Wang +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This study demonstrates an alternative method of creating charge‐stable negatively charged nitrogen vacancy (NV−) centers close to the diamond surface without high‐temperature annealing. By illuminating nitrogen‐implanted regions with a continuous‐wave 405 nm laser, NV− centers are induced, exhibiting electron spin coherence properties suitable for ...
Jens Fuhrmann +4 more
wiley +1 more source
Química Nova, 2014 We report a didactic experience in teaching Pearson's theory (HSAB) to graduate students in organic chemistry. This approach was based on teaching students how to use computer programs to calculate frontier orbitals (HOMO-LUMO).
Mário L. A. A. Vasconcellos
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On the 3D → 2D Isomerization of Hexaborane(12)
Chemistry, 2021 By following the intrinsic reaction coordinate connecting transition states with energy minima on the potential energy surface, we have determined the reaction steps connecting three-dimensional hexaborane(12) with unknown planar two-dimensional ...
Josep M. Oliva-Enrich +4 more
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Atomic Size Misfit for Electrocatalytic Small Molecule Activation
Advanced Functional Materials, EarlyView.This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong +3 more
wiley +1 more source
Journal of Materiomics, 2022 Over the years, the fact that the quaternary diamond-like thermoelectric materials show much lower carrier mobilities than ternary compounds remains mysterious.
Jianxin Zhang +4 more
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Advanced Functional Materials, EarlyView.Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida +16 more
wiley +1 more source