Publications by Wanda Andreoni

Related publications (22)

CdTe surfaces: Characterizing dynamical processes with first-principles metadynamics

Wanda Andreoni, Guido Gerra, Fabio Pietrucci

We study dynamical processes at CdTe surfaces using ab initio metadynamics simulations. The c(2X2) to (2X1) transition of the Te-terminated (001) surface is found to involve a "c(2X2) + (2X1)" intermediate, consistent with experiment, and crossing of simil ...

AIP American Institute of Physics2010

Adsorption of low-molecular-weight molecules on the surface of a sodium smectite clay: an ab initio study

John Christopher Plummer, Wanda Andreoni, Pascal Clausen, Alessandro Curioni

We present a study of the adsorption of single molecules of volatiles, such as water, ethanol, ethyl acetate, pyridine, toluene, and n-octane, on the dry surface of a smectite clay using a series of calculations based on density functional theory. Our clay ...

2009