@article{Kuts_Gerasymyuk_Tarasenko_2018, title={A kinetic and quantum chemical studt on hydrogen peroxide decomposition over carbon, palladium, and palladium-carbon clusters}, url={http://surfacezbir.com.ua/index.php/surface/article/view/324}, abstractNote={<p>Activation (k<sub>30°С</sub>) and thermodynamic (E<sub>a</sub>, A<sub>0</sub>) characteristics been measured of the H<sub>2</sub>O<sub>2</sub> decomposition reaction oxer coal and Pd/C-catalysts have been found to here the greed catalytic activity, palladium being situated on outer surface or within subsurface layers of coal granular The H<sub>2</sub>O<sub>2</sub> decomposition reaction has been shown to k controlled by an entropy factor and to occur in similar type reactive complexes it “catalyst - H<sub>2</sub>O<sub>2</sub>”, as independent on palladium presence or absence on coal granule. Quantum chemical calculations on the electronic structures of C<sub>n</sub> Pd<sub>n</sub> (n=2-33), and Pd<sub>n</sub>C<sub>96</sub> clusters simulated for coal, palladium, and Pd/C-catalysts have shown the decomposition process to depend on cluster sizes and to take place at n&gt;9. In Pd<sub>4</sub>C<sub>96</sub> cluster, electronic systems of C<sub>96</sub> and Pd<sub>4</sub> are joint what results in increasing donor-acceptor properties of Pd<sub>4</sub>C<sub>96</sub> and those of Pd/C- catalysts what explains experimentally observed for such systems increasing their catalytical activity.</p&gt;}, number={15}, journal={Поверхня}, author={Kuts, V. and Gerasymyuk, I. and Tarasenko, Yu.}, year={2018}, month={Сер}, pages={25-36} }