57 citations · 57 across the 3 of their papers we have counts for
3 papers
Interrelation of work function and surface stability: the case of BaAl4
M. A. Uijttewaal, G. A. de Wijs, R. A. de Groot +3
The relationship between the work function (Phi) and the surface stability of compounds is, to our knowledge, unknown, but very important for applications such as organic light-emi…
Ab initio study of magnesium alanate, Mg(AlH4)2
M. J. van Setten, G. A. de Wijs, V. A. Popa +1
Magnesium alanate Mg(AlH4)2 has recently raised interest as a potential material for hydrogen storage. We apply ab initio calculations to characterize structural, electronic and en…
Anisotropy of the Mobility of Pentacene from Frustration
Gilles A. de Wijs, Christine C. Mattheus, Robert A. de Groot +1
The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular pla…