Identification of defect sites on MgO(100) thin films by decoration with Pd atoms and studying CO adsorption properties
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We present an experimental and theoretical investigation into time- vs. frequency-domain femtosecond sum frequency spectroscopy at the metal-liquid interface. Although frequency and time-domain measurements are theoretically equivalent it is demonstrated h ...
We present a systematic study of the local hydrogen bonding in hydrogenated polymorphous silicon thin films (pm-Si:H), a heterogeneous material deposited on the edge of crystallinity, by means of Fourier transform infrared spectroscopy. A vibrational mode ...
We present a study of the C-H and C-N vibrational modes of acetonitrile molecules at the interface between the bulk liquid and a gold film using both time and frequency domain femtosecond sum frequency generation. Acetonitrile is adsorbed on the gold surfa ...
We report on a first-principles investigation of the structural and vibrational properties of vitreous germania (v-GeO2). Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry ...
We present a combined experimental and theoretical study of the CO2 interaction with the Ni(110) surface. Photoelectron spectroscopy, temperature-programmed desorption, and high-resolution electron energy loss spectroscopy measurements are performed at dif ...
In this work, I present the results of my studies on the state-resolved reactivity of silane (SiH4) on the Si(100)-(2x1) surface. The results demonstrate a co-existence of both a direct and a precursor mediated mechanisms for the dissociative chemisorption ...
The quantum state-resolved reactivity S0 of SiH4 on Si(100)-2x1 has been measured for the first time for two vibrationally excited Si-H stretch local mode states (|2000> and |1100>) as well the ground state S0 as a function of translational energy En and s ...
Sequential adsorption of N atoms on a MgO(100) supported Fe-7 cluster is studied using a density functional approach. For the number of adsorbates varying between one and six, the most favorable adsorption geometries are determined and the corresponding po ...
We have studied the vibrational properties of CO adsorbed on platinum and platinum-ruthenium surfaces using density-functional perturbation theory within the Perdew-Burke-Ernzerhof generalized-gradient approximation. The calculated C-O stretching frequenci ...
Metal cation-acetylene complexes (M = V, Fe, Co, Ni) are produced in mol. beams and studied with IR photodissocn. spectroscopy in the C-H stretching region. Each complex has two vibrational bands corresponding to the sym. and asym. stretches of acetylene t ...