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- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicCZ248 papers
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6 papers · 1 filter
Selective Activation of Aromatic C-H Bonds Catalyzed by Single Gold Atoms at Room Temperature
Benjamin Lowe, Jack Hellerstedt, Adam Matěj +5
Selective activation and controlled functionalization of C-H bonds in organic molecules is one of the most desirable processes in synthetic chemistry. Despite progress in heterogen…
Tunneling in a very slow ion-molecule reaction
Robert Wild, Markus Nötzold, Malcolm Simpson +2
Quantum tunneling reactions play a significant role in chemistry when classical pathways are energetically forbidden, be it in gas phase reactions, surface diffusion, or liquid pha…
Effect of Low Oxygen Annealing on Photoelectrochemical Water Splitting Properties of -FeO
Yoichi Makimizu, Nhat Truong Nguyen, Hyo-Jin Ahn +4
Photoelectrochemical (PEC) water splitting is a promising method for conversing solar energy into chemical energy stored in the form of hydrogen. Nanostructured hematite (-Fe$_2…
Influence of Ti Defect-type on Heterogeneous Photocatalytic H Evolution Activity of TiO
Shiva Mohajernia, Pavlina Andryskova, Giorgio Zoppellaro +4
Reduced titanium dioxide has recently attracted large attention, particularly for its unique co-catalyst-free H heterogeneous photocatalytic application. The enhanced photocata…
Computer Modeling of Halogen Bonds and Other -Hole Interactions
Michal H. Kolář, Pavel Hobza
In the field of noncovalent interactions a new paradigm has recently become popular. It stems from the analysis of molecular electrostatic potentials and introduces a label, which…
Challenges in the Theoretical Description of Nanoparticle Reactivity: Nano Zero-Valent Iron
František Karlický, Michal Otyepka
The reactivity of iron atoms, clusters and nanoparticles (nZVI) is of increasing interest owing to their important practical applications, ranging from the steel industry to water…