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Sindy J. Rodríguez

Publications and source records attributed to Sindy J. Rodríguez.

2 recordsLinked to original sources

Prebiotic Chemistry Assemblies of L-Cysteine on Defect-Free Pyrite Terraces

Wächtershäuser's theory proposes iron-sulfur minerals as key platforms for molecular synthesis and supramolecular organization in prebiotic environments. However, defects have been traditionally considered at the center of such assemblies, thereby underestimating the contributions of regular and pristine interfaces. Here, we combine scanning tunneling microscopy and spectroscopy (STM/STS) with density functional theory (DFT) to investigate the fundamental prebiotic chemistry system of L-Cysteine (L-Cys) on defectless FeS$_2$(100) terraces. To do so, we first achieved atomically ordered, defect-free terraces that act as support of two distinct supramolecular phases of L-Cys: one compact, highly ordered supramolecular network and another less packed, labile supramolecular network. We unveil trimer-based intermolecular interactions to be at the origin of these pattern formations. These results demonstrate that L-Cys self-assemblies can be hosted on flawless FeS$_2$ terraces due to the cooperative interplay between substrate electronic structure and intermolecular interactions, without the participation of dominant defects. Therefore, the autocatalytic activity of pyrite could have triggered the on-surface polymerization process of these non-static self-assembled structures under primordial conditions, thereby endorsing Wächtershäuser's postulates on the origin of life.

cond-mat.mtrl-sci↗

Study of In-plane and Interlayer Interactions During Aluminum Fluoride Intercalation in Graphite: Implications for the Development of Rechargeable Batteries

The electrolyte intercalation mechanism facilitates the insertion/extraction of charge into the electrode material in rechargeable batteries. Aluminum fluoride (AlF$_{3}$) has been used as an electrolyte in rechargeable aluminum batteries with graphite electrodes, demonstrating improved reversibility of battery charging and discharging processes; however, the intercalation mechanism of this neutral molecule in graphite is so far unknown. In this work, we combine scanning tunneling microscopy (STM) in ultra-high vacuum conditions, calculations based on density functional theory, and large-scale molecular dynamics simulations to reveal the mechanism of AlF$_{3}$ intercalation in highly oriented pyrolytic graphite (HOPG). We report the formation of AlF$_{3}$ molecules clusters between graphite layers, their self-assembly by graphene buckling-mediated interactions, and explain the origin and distribution of superficial {\it blisters} in the material. Our findings have implications for understanding the relationship between the mobility and clustering of molecules and the expansion of the anode material. This, in turn, paves the way for future enhancements in the performance of energy storage systems.

cond-mat.mtrl-sci↗