Results 31 to 40 of about 4,765 (241)

A Zeeman slower for diatomic molecules

New Journal of Physics, 2018
We present a novel slowing scheme for beams of laser-coolable diatomic molecules reminiscent of Zeeman slowing of atomic beams. The scheme results in efficient compression of the one-dimensional velocity distribution to velocities trappable by magnetic ...
M Petzold, P Kaebert, P Gersema, M Siercke, S Ospelkaus   +4 more
doaj   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Beyond the Oxo‐Wall: Synthesis and Reactivity of a Six‐Coordinate Formally CoIV‐Oxo Complex

Angewandte Chemie, EarlyView.
We present the first example of a six‐coordinate formally Co(IV)‐oxo complex, [Co(TQA)(O)(OH)]+ (1), which exists as an admixture of CoIV‐oxo and CoIII‐oxyl resonance structures. Complex 1 is capable of performing oxygen atom transfer reactions and abstracting moderately strong hydrogen atoms at rates faster than other characterized CoIV‐oxo compounds.
Jason Shearer, Ellie Vaynberg, Devin F. Wilson, Kendal W. Southwell, Jindou Yang, Ying Xing, Wonwoo Nam   +6 more
wiley   +2 more sources

A charged diatomic triple-bonded U≡N species trapped in C82 fullerene cages

Nature Communications, 2022
Diatomic actinide molecules are ideal models for studying rare multiple-bond motifs. Here, the authors report host-guest structures of metastable charged U≡N diatoms confined in fullerene cages and stabilized by coordinative electron transfer.
Qingyu Meng, Laura Abella, Yang-Rong Yao, Dumitru-Claudiu Sergentu, Wei Yang, Xinye Liu, Jiaxin Zhuang, Luis Echegoyen, Jochen Autschbach, Ning Chen   +9 more
doaj   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Bond Length as a Unified Descriptor for Stable Iodine Battery

Angewandte Chemie, EarlyView.
Charge transfer induced by the interactions between iodine and ligands leads to the elongation of the I–I bond. This resulting bond length correlates directly with coordination strength, serving as a unified descriptor for the rational design of both cathode hosts and electrolyte components.
Mengzi Geng, Yanyan Wang, Fanbin Zeng, Yao Liu, Haijin Ni, Bolong Hong, Wei Xia, Songbai Han, Yusheng Zhao, Biao Zhang   +9 more
wiley   +2 more sources

Microblasting Wound Dressings Mechanically Disrupt Polymicrobial Biofilms to Enhance Healing in Treatment‐Resistant Wounds

Advanced Science, EarlyView.
Treatment‐resistant wounds caused by polymicrobial biofilms are refractory to conventional therapies due to the dense extracellular matrices. We developed μBLAST, a microblasting wound dressing that combines MnO2‐doped biosilica and a H2O2‐releasing mesh to generate localized oxygen microbubbles that mechanically disrupt biofilms.
Yujin Ahn, Joo Hun Lee, Christian Hurd, Jiye Lee, Junggeon Park, Adam A. Markowicz, Zheyuan Zhang, Joanne Hwang, Guillermo L. Monroy, Simon A. Rogers, Woonggyu Jung, Stephen A. Boppart, Hyunjoon Kong   +12 more
wiley   +1 more source

Realizing unconventional quantum magnetism with symmetric top molecules

New Journal of Physics, 2015
We demonstrate that ultracold symmetric top molecules loaded into an optical lattice can realize highly tunable and unconventional models of quantum magnetism, such as an XYZ Heisenberg spin model.
M L Wall, K Maeda, Lincoln D Carr
doaj   +1 more source

Electron Impact Ionization of Metastable States of Diatomic Molecules

Atoms, 2021
The Binary-Encounter Bethe approach was applied to the estimation of total ionization induced by electron impact in metastable states of diatomic molecules.
Annarita Laricchiuta, Roberto Celiberto, Gianpiero Colonna   +2 more
doaj   +1 more source

The Preparatory (Anti)Bonding Character of Molecular Orbitals

Advanced Science, EarlyView.
Herein, a concept to qualitatively predict changes in bond dissociation energies upon reduction or oxidation of molecular compounds is introduced. Changing the population of so‐called preparatory molecular orbitals influences how molecular fragments are relaxing after bond cleavage, which is shown for isolated organometallic aluminum compounds as well ...
Jonas O. Wenzel, Johannes Werner, Pascal Weisenburger, Joachim Podlech, Ralf Köppe, Ingo Krossing, Dieter Fenske, Andreas Reiß, Claus Feldmann, Israel Fernández, Frank Breher   +10 more
wiley   +1 more source