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Simulating Vibronic Spectra without Born-Oppenheimer Surfaces
(ACS Publications, 2021-04-01)
We show how linear vibronic spectra in molecular systems can be simulated efficiently using first-principles approaches without relying on the explicit use of multiple Born-Oppenheimer potential energy surfaces. We demonstrate ...
Nanoparticle-Doped Hybrid Polyelectrolyte Microcapsules with Controlled Photoluminescence for Potential Bioimaging Applications
(MDPI, 2021-11-24)
Fluorescent imaging is widely used in the diagnosis and tracking of the distribution, interaction, and transformation processes at molecular, cellular, and tissue levels. To be detectable, delivery systems should exhibit ...
High-Harmonic Generation from Spin-Polarised Defects in Solids
(Nature, 2020-01-31)
The generation of high-order harmonics in gases enabled to probe the attosecond electron dynamics in atoms and molecules with unprecedented resolution. Extending these techniques to solids, which were originally developed ...
Large Perpendicular Magnetic Anisotropy in Nanometer-Thick Epitaxial Graphene/Co/Heavy Metal Heterostructures for Spin-Orbitronics Devices
(American Chemical Society, 2021-05-28)
Nanometer-thick epitaxial Co films intercalated between graphene (Gr) and a heavy metal (HM) substrate are promising systems for the development of spin-orbitronic devices due to their large perpendicular magnetic anisotropy ...
Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH2 radical scavenging reaction as a test case
(Elsevier, 2022-02-01)
[EN] The increased bioavailability of aluminum has led to a concern about its toxicity on living systems. Among the most important toxic effects, it has been proven that aluminum increases oxidative stress in biological ...
A Review on Current Strategies for the Modulation of Thermomechanical, Barrier, and Biodegradation Properties of Poly (Butylene Succinate) (PBS) and Its Random Copolymers
(MDPI, 2022-03-03)
The impact of plastics on the environment can be mitigated by employing biobased and/or biodegradable materials (i.e., bioplastics) instead of the traditional “commodities”. In this context, poly (butylene succinate) (PBS) ...
Unconventional Approaches in Coordination Chemistry and Organometallic Reactivity
(American Chemical Society, 2021-03-23)
This contribution highlights a number of approaches developed by coordination and organometallic chemists that go beyond mainstream inorganic reactivity. A few of these strategies have been known for decades and are ...
Unravelling the Intertwined Atomic and Bulk Nature of Localised Excitons by Attosecond Spectroscopy
(Springer, 2021-02-15)
The electro-optical properties of most semiconductors and insulators of technological interest are dominated by the presence of electron-hole quasi-particles, called excitons. The manipulation of excitons in dielectrics ...
Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors
(Nature, 2021-08-03)
Bound states in superconductors are expected to exhibit a spatially resolved electron-hole asymmetry which is the hallmark of their quantum nature. This asymmetry manifests as oscillations at the Fermi wavelength, which ...
In-Plane Anisotropic Optical and Mechanical Properties of Two-Dimensional MoO3
(Nature, 2021-04-12)
Molybdenum trioxide (MoO3) in-plane anisotropy has increasingly attracted the attention of the scientific community in the last few years. Many of the observed in-plane anisotropic properties stem from the anisotropic ...