Publicaciones 2011-2020

@article{RN300,
title = {In Situ Visualization of the Local Photothermal Effect Produced on Alpha-Cyclodextrin Inclusion Compound Associated with Gold Nanoparticles},
author = { N. Silva and C. Munoz and J. Diaz-Marcos and J. Samitier and N. Yutronic and M.J. Kogan and P. Jara},
url = {/brokenurl#<Go to ISI>://WOS:000373961200001},
doi = {10.1186/s11671-016-1322-z},
issn = {1556-276x},
year = {2016},
date = {2016-01-01},
journal = {Nanoscale Research Letters},
volume = {11},
pages = {1-8},
abstract = {Evidence of guest migration in alpha-cyclodextrin-octylamine (alpha-CD-OA) inclusion compound (IC) generated via plasmonic heating of gold nanoparticles (AuNPs) has been studied. In this report, we demonstrate local effects generated by laser-mediated irradiation of a sample of AuNPs covered with inclusion compounds on surface-derivatized glass under liquid conditions by atomic force microscopy (AFM). Functionalized AuNPs on the glass and covered by the ICs were monitored by recording images by AFM during 5 h of irradiation, and images showed that after irradiation, a drastic decrease in the height of the AuNPs occurred. The absorption spectrum of the irradiated sample showed a hypsochromic shift from 542 to 536 nm, evidence suggesting that much of the population of nanoparticles lost all of the parts of the overlay of ICs due to the plasmonic heat generated by the irradiation. Mass spectrometry matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) performed on a sample containing a collection of drops obtained from the surface of the functionalized glass provided evidence that the irradiation lead to disintegration of the ICs and therefore exit of the octylamine molecule (the guest) from the cyclodextrin cavity (the matrix).},
keywords = {compound, cyclodextrin gold guest heating, inclusion metal migration, monolayers, nanoparticles, nanorods, nanotechnology, optical-properties, plasmonic therapy},
pubstate = {published},
tppubtype = {article}
}

@article{RN306,
title = {Theoretical Exploration of Seleno and Tellurophenols as Promising Alternatives to Sulfur Ligands for Anchoring to Gold (111) Materials},
author = { S. Miranda-Rojas and R. Salazar-Molina and J. Kastner and R. Arratia-Perez and F. Mendizabal},
url = {/brokenurl#<Go to ISI>://WOS:000369510500023},
doi = {10.1039/c5ra21964g},
issn = {2046-2069},
year = {2016},
date = {2016-01-01},
journal = {Rsc Advances},
volume = {6},
number = {6},
pages = {4458-4468},
abstract = {It is widely known that sulfur ligands, such as alkanethiols or phenothiols and their derivatives, are useful anchor systems for gold materials due to the high affinity of sulfur to gold surfaces. In this study we use DFT calculations and a 42-atom gold cluster model to study the interaction between selenophenol and tellurophenol-derivatives with the Au(111) surface to gain information towards potential new gold-based materials. We modulated the interaction strength by controlling the charge transfer process of a particular interaction by chemically modifying the ligands. To obtain a complete analysis, we studied the ligands in their protonated, anionic and radical states aiming to cover the three possibilities in which these may interact with the gold cluster. In order to get a deeper insight into the nature of the interaction we used several analysis techniques such as energy decomposition analysis (EDA), non-covalent interactions (NCI) and natural population analysis (NPA). Our results reveal that tellurium in the anionic state provides complexes of better thermodynamic stability by similar to 12.0 kcal mol, when compared with the strongest sulfur-gold complex, also in the anionic state. Furthermore, this indicates that the anionic ligand is probably the dominant state for both selenium and tellurium as observed previously for sulfur. The extent to which the interaction strength could be controlled directly depends on the state of the anchor atom. In our case the anionic state is the most suitable for tuning the interaction. Finally, our main findings suggest that exchanging sulfur with selenium or tellurium involves an important increase of the interaction strength, thus, making these selenophenol and tellurophenol derivatives attractive for the development of new functional materials.},
keywords = {basis-sets, chain-length, charge-transfer, chemistry, complexes, interface, monolayers, nanoparticles, pseudopotentials, self-assembled tellurium titanium},
pubstate = {published},
tppubtype = {article}
}

@article{RN303,
title = {Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au-12 and Pah Via Relativistic Dft Calculations},
author = { A. Munoz-Castro and T. Gomez and D.M. Carey and S. Miranda-Rojas and F. Mendizabal and J.H. Zagal and R. Arratia-Perez},
url = {/brokenurl#<Go to ISI>://WOS:000373862700049},
doi = {10.1021/acs.jpcc.5b12580},
issn = {1932-7447},
year = {2016},
date = {2016-01-01},
journal = {Journal of Physical Chemistry C},
volume = {120},
number = {13},
pages = {7358-7364},
abstract = {Gold-graphene interaction at the interface is evaluated through different polyaromatic hydrocarbons (PAH), accounted by C6H6, C24H12, C54H16, and C96H18, focusing into different energetic terms related to the overall interaction. Our results characterize the neutral gold-PAH interaction nature with 45% of dispersion character, 35% of electrostatic, and 20% of covalent character, suggesting that moderate van der Waals character is mostly involved in the interaction, which increases according to the size of the respective PAH. The resulting surface charge distribution in the graphene model is a relevant parameter to take into account, since the ability of the surface charge to be reorganized over the polycyclic structure in both contact and surrounding regions is important in order to evaluate interactions and different interacting conformations. Our results suggest that for a Au-12 contact surface of radius 4.13 angstrom, the covalent, electrostatic and dispersion character of the interaction are effectively accounted in a graphene surface of about 6.18 angstrom, as given by circumcoronene, depicting a critical size where the overall interaction character can be accounted.},
keywords = {ab-initio, approximation, chemistry clusters, density-functional generalized gradient hydrogen-bonds, interaction, monolayers, noncovalent phthalocyanines, pseudopotentials, self-assembled theory},
pubstate = {published},
tppubtype = {article}
}