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In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translation ...
With the growth of natural gas as an energy source, upgrading CO2-contaminated supplies has become increasingly important. Here we develop a single metric that captures how well an adsorbent performs the separation of CH4 and CO2, and we then use this metr ...
We present a tutorial review of our quantum state resolved experiments designed to study gas–surface reaction dynamics. The combination of a molecular beam, state specific reactant preparation by infrared laser pumping, and ultrahigh vacuum surface analysi ...
The dynamic evolution of the vibrational interactions in the prototypical CH3NH3PbI3 was studied through a comprehensive experimental and theoretical investigation with a focus on the interactions between the organic cations and the inorganic cage. To date ...
The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy ...
We employ dispersion-corrected density-functional theory to study the adsorption of tetrapyrrole 2H-porphine (2H-P) at Cu(111) and Ag(111). Various contributions to adsorbate-substrate and adsorbate-adsorbate interactions are systematically extracted to an ...
V2O5/WO3-TiO2 selective catalytic reduction (SCR) catalysts with a V2O5 loading of 1.7, 2.0, 2.3, 2.6, 2.9, 3.2 and 3.5 wt. % were investigated in the fresh state and after hydrothermal aging at 600 degrees C for 16 h. The catalysts were characterized by m ...
Well-ordered molecular films play an important role in nanotechnology, from device fabrication to surface patterning. Self-assembled monolayers (SAMs) of 6-mercaptopurine (6MP) on the Au(100)-(1 x 1) and Au(111)-(1 x 1) have been used to understand the int ...
The King and Wells molecular beam reflectivity method has been used for a quantum state resolved study of the dissociative chemisorption of CH4 on Pt(111) at several surface temperatures. Initial sticking coefficients were measured for incident CH4 prepare ...
Atomic layer deposition (ALD) is unsurpassed in its ability to create thin conformal coatings over very rough and/or porous materials. Yet although the coating thickness on flat surfaces can be measured by ellipsometry, characterization of these coatings o ...