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Full-Text Articles in Physical Sciences and Mathematics
The Effect Of Electrocatalytic Activity And Crystal Structure Of Pbo_2 Surfaces On Polyphenylene Oxide (Ppo) Production In Acetonitrile, Serdar Abaci, Atti̇la Yildiz
The Effect Of Electrocatalytic Activity And Crystal Structure Of Pbo_2 Surfaces On Polyphenylene Oxide (Ppo) Production In Acetonitrile, Serdar Abaci, Atti̇la Yildiz
Turkish Journal of Chemistry
The crystallographic nature of PbO_2 films was changed by optimizing the electrolysis conditions in an electrodeposition solution of PbO_2. These PbO_2 films were then used to prepare PPO films. It was determined that \alpha and \beta modifications, and relative degrees of crystallinity had profound effects on the electrocatalytic performance of PbO_2 films in the production PPO films.
A Density Functional Theory Study Of Oxidation Of Benzene To Phenol By N_2o On Fe- And Co-Zsm-5 Clusters, Mehmet Ferdi̇ Fellah, Işik Önal
A Density Functional Theory Study Of Oxidation Of Benzene To Phenol By N_2o On Fe- And Co-Zsm-5 Clusters, Mehmet Ferdi̇ Fellah, Işik Önal
Turkish Journal of Chemistry
Density functional theory (DFT) calculations were carried out in the study of oxidation of benzene to phenol by N_2O on relaxed [(SiH_3)_4AlO_4M] (where M=Fe, Co) cluster models representing Fe- and Co-ZSM-5 surfaces. The catalytic cycle steps are completed for both Fe-ZSM-5 and Co-ZSM-5 clusters. The general trend of the results that were obtained in terms of activation barriers for the Fe-ZSM-5 cluster is in agreement with the experimental and theoretical literature. It was observed that the phenol formation step is the rate-limiting step for both clusters and Co-ZSM-5 surface has a lower activation barrier than the Fe-ZSM-5 surface (i.e. 35.82 …