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The search for durable dyes led several past civilizations to develop artificial pigments. Maya Blue (MB), manufactured in pre-Columbian Mesoamerica, is one of the best known examples of an organic-inorganic hybrid material. Its durability is due to the unique association of indigo molecule and palygorskite, a particular fibrous clay occurring in Yucatan. Despite 50 years of sustained interest, the microscopic structure of MB and its relation to the durability remain open questions. Combining new thermogravimetric and synchrotron X-ray diffraction analyses, we show that indigo molecules can diffuse into the channel of the palygorskite during the heating process, replacing zeolitic water and stabilizing the room temperature phases of the clay.
The adsorption and diffusion of F2 molecules on pristine graphene have been studied using first-principles calculations. For the diffusion of F2 from molecular state in gas phase to the dissociative adsorption state on graphene surface, a kinetic bar
A microscopic model of the effect of unbinding in diffusion limited aggregation based on a cellular automata approach is presented. The geometry resembles electrochemical deposition - ``ions diffuse at random from the top of a container until encount
The structural, electronic, and optical properties of 4 A single-walled carbon nanotubes (SWNTs) contained inside the zeolite channels have been studied based upon the density-functional theory in the local-density approximation (LDA). Our calculated
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 work we report on a detailed fully atomistic molecular dynamics study
Low-temperature spin-polarized scanning tunneling microscopy is employed to study spin transport across single Cobalt-Phathalocyanine molecules adsorbed on well characterized magnetic nanoleads. A spin-polarized electronic resonance is identified ove