The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
The water gas shift (WGS) reaction is an important reaction system and has wide applications in several processes. However, the mechanism of the reaction is still in dispute. In this paper we have investigated the reaction mechanism on the model Cu(111) system using the density functional method and slab models. We have characterized the kinetics and the thermodynamics of the four reaction pathways...
The efficient fixation/utilization of CO 2 has been pursued by chemists for decades. In this work, the catalytic kinetics of CO 2 fixation to methanol over a binary catalyst Cu/ZrO 2 is investigated by first principles kinetic Monte Carlo simulation. A Cu/ZrO 2 interface model is first established and the reaction network of CO 2 hydrogenation is explored. In...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.