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Multicoverage Study of Femtosecond Laser-Induced Desorption of CO from Pd(111)
(ACS, 2024-02)
We study the strong coverage dependence of the femtosecond laser-induced desorption of CO from Pd(111) using molecular dynamics simulations that consistently include the effect of the laser-induced hot electrons on both ...
Microscopic Evidence for the Topological Transition in Model Vitrimers
(ACS, 2023-11)
In addition to the glass transition, vitrimers undergo a topological transition from viscoelastic liquid to viscoelastic solid behavior when the network rearrangements facilitated by dynamic bond exchange reactions freeze. ...
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene
(RSC, 2024)
Recently, planar and neutral tricoordinated oxygen embedded in graphene has been imaged experimentally (Nat. Commun., 2019, 10, 4570–4577). In this work, this unusual chemical species is studied utilizing a variety of ...
A single amino acid able to promote high-temperature ring-opening polymerization by dual activation
(Wiley, 2024-04)
Amino acids are indispensable compounds in the body, performing several biological processes that enable proper functioning. In this work, it is demonstrated that a single amino acid, taurine, is also able to promote the ...
Semiconducting polymer nanoporous thin films as a tool to regulate intracellular ROS balance in endothelial cells
(ACS, 2023-07)
The design of soft and nanometer-scale photoelectrodes able to stimulate and promote the intracellular concentration of reactive oxygen species (ROS) is searched for redox medicine applications. In this work, we show ...
Synthesis, morphology, and crystallization kinetics of polyheptalactone (PHL)
(ACS, 2023-06)
Aliphatic polyesters are widely studied due to their excellent properties and low-cost production and also because, in many cases, they are biodegradable and/or recyclable. Therefore, expanding the range of available ...
Disentangling the role of electrons and phonons in the photoinduced CO desorption and CO oxidation on (O,CO)-Ru(0001)
(Frontiers Media, 2023-07)
The role played by electronic and phononic excitations in the femtosecond laser induced desorption and oxidation of CO coadsorbed with O on Ru(0001) is investigated using ab initio molecular dynamics with electronic friction. ...
Metal-free initiators pave the way for chemically recyclable polymers with industrially relevant properties
(Nature, 2023)
To solve the environmental disaster that is generated by legacy plastics accumulation, researchers are looking to design plastics
with enhanced end-of-life options, but many circular plastics do not meet industrial ...
Tailoring the nucleation and crystallization rate of polyhydroxybutyrate by copolymerization
(ACS, 2023-10)
In the polyester family, the biopolymer with the greatest industrial potential could be poly(3-hydroxybutyrate) (PHB), which can be produced nowadays biologically or chemically. The scarce commercial use of PHB derives ...
The role of Eudragit® as a component of hydrogel formulations for medical devices
(RSC, 2023)
Over the last decade, significant progress has been made in developing hydrogels as medical devices. By physically cross-linking pharmaceutically approved polymers into three-dimensional matrices, we can ensure their ...