A quantum theory of thermal desorption of light noble gases, at low temperatures, in the framework of the distorted-wave Born approximation, is presented. Such a theory has been applied to the calculation of the angle-resolved thermal desorption flux, and time-of-flight spectrum for Ne-Cu(111) using a microscopic description of the phonons of Cu(111), and a realistic gas-solid potential. We show that desorption is driven by long-wavelength phonons, but the precise angular dependence results from the temperature-dependent interplay of statistical and dynamical factors. The angular distribution is narrower than cosine at 4 K, broader than cosine at 12 K, and distinctly non-cosine for temperatures greater than 20 K with the maximum away fro...
We present density functional theory modeling of time-resolved optical pump/X-ray spectroscopic prob...
We present density functional theory modeling of time-resolved optical pump/X-ray spectroscopic prob...
Recent efforts in the theoretical simulation of laser-induced desorption of small molecules from sur...
A quantum theory of thermal desorption of light noble gases, at low temperatures, in the framework o...
The angle-resolved thermal desorption flux for Ne-Cu(111) has been computed at 5, 10 and 15 K in the...
The angle-resolved thermal desorption flux, and time-of-flight spectrum have been computed for Ne-Cu...
In this paper we report calculations of the ADF and of the TOF spectra of the physisorbed system Ne-...
Following a previously developed microscopic model, we show that the time of flight (TOF) spectra an...
The sticking coefficient s of Ne on Cu at substrate temperatures T(s) between 5 and 30 K is computed...
We present first principles calculations of the reactive flux for thermal recombinative desorption o...
Results from quasi-classical and quantum-mechanical calculations for the UV-laser induced photodesor...
Desorption of He atoms from thin films may be resolved experimentally into quantum and thermal compo...
When a noble gas atom approaches a solid surface, it is adsorbed via the Van der Waals force, which ...
The corrugation feature of potential energy surfaces (PESs) for rare-gas (RG) adlayers on metal surf...
The angular distributions of flux and mean translational energy in stimulated desorption containe va...
We present density functional theory modeling of time-resolved optical pump/X-ray spectroscopic prob...
We present density functional theory modeling of time-resolved optical pump/X-ray spectroscopic prob...
Recent efforts in the theoretical simulation of laser-induced desorption of small molecules from sur...
A quantum theory of thermal desorption of light noble gases, at low temperatures, in the framework o...
The angle-resolved thermal desorption flux for Ne-Cu(111) has been computed at 5, 10 and 15 K in the...
The angle-resolved thermal desorption flux, and time-of-flight spectrum have been computed for Ne-Cu...
In this paper we report calculations of the ADF and of the TOF spectra of the physisorbed system Ne-...
Following a previously developed microscopic model, we show that the time of flight (TOF) spectra an...
The sticking coefficient s of Ne on Cu at substrate temperatures T(s) between 5 and 30 K is computed...
We present first principles calculations of the reactive flux for thermal recombinative desorption o...
Results from quasi-classical and quantum-mechanical calculations for the UV-laser induced photodesor...
Desorption of He atoms from thin films may be resolved experimentally into quantum and thermal compo...
When a noble gas atom approaches a solid surface, it is adsorbed via the Van der Waals force, which ...
The corrugation feature of potential energy surfaces (PESs) for rare-gas (RG) adlayers on metal surf...
The angular distributions of flux and mean translational energy in stimulated desorption containe va...
We present density functional theory modeling of time-resolved optical pump/X-ray spectroscopic prob...
We present density functional theory modeling of time-resolved optical pump/X-ray spectroscopic prob...
Recent efforts in the theoretical simulation of laser-induced desorption of small molecules from sur...