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4 papers · 2 filters
Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander
F. Sato, S. B. Legoas, R. Otero +6
Violet Lander (VL) (C108H104) is a large organic molecule that when deposited on Cu (110) exhibited lock-and-key like behavior (Otero et al., Nature Mater. 3, 779 (2004)). In this…
High-pressure structural, elastic and electronic properties of the scintillator host material, KMgF_3
G. Vaitheeswaran, V. Kanchana, R. S. Kumar +5
The high-pressure structural behaviour of the fluoroperovskite KMgF_3 is investigated by theory and experiment. Density functional calculations were performed within the local dens…
Energy level alignment at Alq3/La0.7Sr0.3MnO3 interface for organic spintronic devices
Y. Q. Zhan, I. Bergenti, L. Hueso +3
The electronic structure of the interface between Tris (8-hydroxyquinolino)-aluminum (Alq3) and La0.7Sr0.3MnO3 manganite (LSMO) was investigated by means of photoelectron spectrosc…
Elastic constants and high-pressure structural transitions in lanthanum monochalcogenides from experiment and theory
G. Vaitheeswaran, V. Kanchana, S. Heathman +5
The high-pressure structural behavior of lanthanum monochalcogenides is investigated by theory and experiment. Theory comprises density functional calculations of LaS, LaSe and LaT…