7 Result(s)
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Miguel Fuentes-Cabrera
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Article
Open AccessSelf-assembly directed one-step synthesis of [4]radialene on Cu(100) surfaces
The synthetic challenges of radialenes have precluded their practical applications. Here, we report a one-step synthetic protocol of [4]radialene on a copper surface. High-resolution scanning tunneling microsc...
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Article
Open AccessSupramolecular polymerization of a prebiotic nucleoside provides insights into the creation of sequence-controlled polymers
Self-assembly of a nucleoside on Au(111) was studied to ascertain whether polymerization on well-defined substrates constitutes a promising approach for making sequence-controlled polymers. Scanning tunneling ...
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Article
Open AccessExtrapolating Dynamic Leidenfrost Principles to Metallic Nanodroplets on Asymmetrically Textured Surfaces
In an effort to enhance our knowledge on how to control the movement of metallic nanodroplets, here we have used classical molecular dynamics simulations to investigate whether Cu nanostructures deposited on n...
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Article
Open AccessSelf-Organized and Cu-Coordinated Surface Linear Polymerization
We demonstrate a controllable surface-coordinated linear polymerization of long-chain poly(phenylacetylenyl)s that are self-organized into a “circuit-board” pattern on a Cu(100) surface. Scanning tunneling mic...
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Article
Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be)
The influence of different sorption sites of isoreticular metal-organic frameworks (IRMOFs) on interactions with explosive molecules is investigated. Different connector effects are taken into account by choos...
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Advancing Understanding and Design of Functional Materials Through Theoretical and Computational Chemical Physics
Theoretical and computational chemical physics and materials science offers great opportunity toward hel** solve some of the grand challenges in science and engineering, because structure and properties of m...
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Article
Ab-initio Study of the Diffusion Coefficients in Fe-based Liquids
With atomistic force fields derived from ab-initio energies and atomic forces, we cooled Fe80B20 from the liquid to the glass state. The pair-distribution functions and the diffusion coefficients were used to cha...
