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.
Atomic layer deposition (ALD) of Ni on the metal–organic framework NU-1000 has been shown to generate a material that serves as a catalyst for ethylene dimerization. However, the precise nature of the active catalytic site or sites remains uncertain. Here we employ periodic density functional calculations to characterize the structure and reactivity of the deposited species. Optimized lattice constants...
Methanol synthesis from CO2 hydrogenation on a model Pd/In2O3 catalyst, i.e. Pd4/In2O3, has been investigated using density functional theory (DFT) and microkinetic modeling. Three possible routes in the reaction network of CO2+H2→CH3OH+H2O have been examined. Our DFT results show that the HCOO route competes with the RWGS route whereas a high activation barrier blocked the HCOOH route kinetically...
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.