Simple isotherm models can fit microporous adsorption yet the molecular interactions underlying successful fitting have often remained obscure. Here we demonstrate how semi-empirical model data be mined to reveal reality of adsorbate-adsorbate interactions. This was made possible by fluctuation theory, a rigorous theory based only on principles statistical thermodynamics. For carbons, quantifie...

The experimental line shape broadening observed in adsorbate diffusion on metal surfaces with increasing coverage is usually related to the nature of the adsorbate-adsorbate interaction. Here we show that this broadening can also be understood in terms of a fully stochastic model just considering two noise sources: (i) a Gaussian white noise accounting for the surface friction, and (ii) a shot ...

The resonant frequency shifts of a circular membrane caused by an adsorbate are the sensing mechanism for a drum resonator. The adsorbate mass and position are the two major (unknown) parameters determining the resonant frequency shifts. There are infinite combinations of mass and position which can cause the same shift of one resonant frequency. Finding the mass and position of an adsorbate fr...

In this article, we study dynamics of adsorbate island formation in a model plasma-condensate system numerically. We derive the generalized reaction-diffusion model for adsorptive multilayer system by taking into account anisotropy in transfer of adatoms between neighbor layers induced by electric field. It will be found that with an increase in the electric field strength, a structural transfo...

We propose using short-period superlattices as substrates to control the vibrational relaxation dynamics of adsorbate overlayers. The mass modulation of superlattices creates both band gaps and large spectral enhancements in the phonon density of states. These modifications can dramatically alter the coupling between vibrational modes of the adsorbate overlayer and the substrate lattice, thereb...

We use density functional theory (DFT) with the generalized gradient approximation (GGA) and our first-principles extrapolation method for accurate chemisorption energies (Mason et al. Phys. Rev. B 2004, 69, 161401R) to calculate the chemisorption energy for CO on a variety of transition metal surfaces for various adsorbate densities and patterns. We identify adsorbate through-space repulsion, ...