Publications by authors named "A Molina-Sanchez"

Article Synopsis
  • The research focuses on open-shell nanographenes, emphasizing the significance of considering both spin and orbital degrees of freedom in low-energy excitations, rather than just spins.
  • The study highlights nitrogen-doped triangulenes as a key example, utilizing advanced computational methods like density-functional theory and the Hubbard model.
  • Findings suggest a complex interaction between orbital and spin features, challenging the traditional spin-only framework and suggesting new directions for future research in nanographenes.
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We report a computational study where we explore the possibility of tuning the electronic properties of orthorhombic methylammonium tin iodide CHNHSnI using strains. According to our findings, a moderate [001] strain, smaller than 2%, would open the band gap up to 1.25 eV and enhance the exciton binding energy, opening up new possibilities for the use of CHNHSnI in technological applications.

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The coupling of the electron system to lattice vibrations and their time-dependent control and detection provide unique insight into the nonequilibrium physics of semiconductors. Here, we investigate the ultrafast transient response of semiconducting monolayer 2-MoTe encapsulated with BN using broadband optical pump-probe microscopy. The sub-40 fs pump pulse triggers extremely intense and long-lived coherent oscillations in the spectral region of the A' and B' exciton resonances, up to ∼20% of the maximum transient signal, due to the displacive excitation of the out-of-plane phonon.

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An outstanding potentiality of layered two-dimensional (2D) organic-inorganic hybrid perovskites (2DHPs) is in the development of solar cells, photodetectors, and light-emitting diodes. In 2DHPs, an exciton is localized in an atomically thin lead(II) halide inorganic layer of sub-nanometer thickness as in a quantum well sandwiched between organic layers as energetic and dielectric barriers. In previous years, versatile optical characterization of 2DHPs has been carried out mainly for thin flakes of single crystals and ultrathin (of the order of 20 nm) polycrystalline films, whereas there is a lack of optical characterization of thick (hundreds of nanometers) polycrystalline films, fundamentals for fabrication of devices.

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We calculate the time evolution of the transient reflection signal in an MoS monolayer on a SiO/Si substrate using first-principles out-of-equilibrium real-time methods. Our simulations provide a simple and intuitive physical picture for the delayed, yet ultrafast, evolution of the signal whose rise time depends on the excess energy of the pump laser: at laser energies above the A- and B-exciton, the pump pulse excites electrons and holes far away from the K valleys in the first Brillouin zone. Electron-phonon and hole-phonon scattering lead to a gradual relaxation of the carriers toward small around K, enhancing the dielectric screening.

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