Dissociative Electron Attachment on Metal Surfaces: The Case of HCl- on Au(111)
status: published
status: published
International audience
Observations of superconductivity and charge density waves (CDW) in graphene have been elusive thus far due to weak electron-phonon coupling (EPC) interactions. Here, we report a unique observation of anomalous transport and multiple charge ordering phases at high temperatures (T1∼213K,T2∼325K) in a 0D-2D van der Waals (vdW) heterostructure compris...
Nanoporous materials in the form of metal-organic frameworks such as zeolitic imidazolate framework-8 (ZIF-8) are promising membrane materials for the separation of hydrocarbon mixtures. To compute the adsorption isotherms in such adsorbents, grand canonical Monte Carlo simulations have proven to be very useful. The quality of these isotherms depen...
A systematic investigation of hydrated extraframework aluminum (EFAl) species interacting with Bronsted acid sites (BAS) in H-ZSM-5 is presented to understand the cooperative active site structure under catalytic operating conditions. Static models of EFAl species confined in the H-ZSM-5 unit cell show that isolated BAS protonate neutral EFAl speci...
Vibrational spectroscopy is an omnipresent spectroscopic technique to characterize functional nanostructured materials such as zeolites, metal-organic frameworks (MOFs), and metal-halide perovskites (MHPs). The resulting experimental spectra are usually complex, with both low-frequency framework modes and high-frequency functional group vibrations....
status: published
Sequentially managing the coverage and dimerization of *CO on the Cu catalysts is desirable for industrial-current-density CO2 reduction (CO2R) to C2+, which required the multiscale design of the surface atom/architecture. However, the oriented design is colossally difficult and even no longer valid due to unpredictable reconstruction. Here, we lev...
status: published
Boron-containing materials, such as hexagonal boron nitride (h-BN), recently shown to be active and selective catalysts for the oxidative dehydrogenation of propane (ODHP), have been shown to undergo significant surface oxyfunctionalization and restructuring. Although experimental ex situ studies have probed the change in chemical environment on th...