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Updated: Feb 21, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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単原子Pd@SSZ-13のO2補助メタン酸化:第1原理とマイクロキネティック研究を組み合わせた研究

Anuroopa Behatha1, Shalini Tomar1, Hojin Jeong2

  • 1Indo-Korea Science and Technology Center (IKST), Bangalore 560064, India. s.bhattacharjee@ikst.res.in.

Physical chemistry chemical physics : PCCP
|February 19, 2026
PubMed
まとめ

SSZ-13ゼオライトのパラジウム触媒は,温室効果ガスの軽減に不可欠なO2補助経路を通じてメタンを効率的に酸化します. この研究は,メタンの完全な変換のための最適な条件を明らかにし,触媒の設計を強化します.

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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Oxidative Cleavage of Alkenes: Ozonolysis01:46

Oxidative Cleavage of Alkenes: Ozonolysis

In ozonolysis, ozone is used to cleave a carbon–carbon double bond to form aldehydes and ketones, or carboxylic acids, depending on the work-up.
Ozone is a symmetrical bent molecule stabilized by a resonance structure.
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Carboxylic acids react with diazomethane in an ether solvent via alkylation at the carboxylate oxygen atom to give methyl esters of the corresponding acid with excellent yields.
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