261 citations · 953 across the 9 of their papers we have counts for
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Hydrogen dissociation on the Mg(0001) surface from quantum Monte Carlo calculations
M. Pozzo, D. Alfe`
We have used diffusion Monte Carlo (DMC) simulations to calculate the energy barrier for H dissociation on the Mg(0001) surface. The calculations employ pseudopotentials and sy…
Hydrogen Dissociation and Diffusion on Transition Metal(=Ti,Zr,V,Fe,Ru,Co,Rh,Ni,Pd,Cu,Ag)-doped Mg(0001) Surfaces
Monica Pozzo, Dario Alfe`
The kinetics of hydrogen absorption by magnesium bulk is affected by two main activated processes: the dissociation of the H molecule and the diffusion of atomic H into the bul…
The stellar association around Gamma Velorum and its relationship with Vela OB2
R. D Jeffries, Tim Naylor, F. M. Walter +2
We present the results of a photometric BVI survey of 0.9 square degrees around the Wolf-Rayet binary gamma^2 Vel and its early-type companion gamma^1 Vel. Several hundred PMS star…
Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations
M. Pozzo, D. Alfè
We have used diffusion Monte Carlo (DMC) calculations to study the structural properties of magnesium hydride (MgH), including the pressure-volume equation of state, the cohesi…
Hydrogen Dissociation and Diffusion on Ni and Ti -doped Mg(0001) Surfaces
M. Pozzo, D. Alfè, A. Amieiro +2
It is well known, both theoretically and experimentally, that alloying MgH with transition elements can significantly improve the thermodynamic and kinetic properties for H…