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pro vyhledávání: '"Sánchez, Cristian"'
We theoretically propose a polymer-based nano-device consisting of a single trans-polyacetylene (tPA) molecule capacitively coupled to external voltage gates. We model the integrated device using a Su-Schrieffer-Heeger (SSH)-like Hamiltonian, and we
Externí odkaz:
http://arxiv.org/abs/2404.15257
Publikováno v:
Phys. Rev. B, volume 106, year 2022, page 245426
In this work we study the dynamics and stability of charged solitons in trans-polyacetylene (tPA), and revisit the issue of the stability of these non-linear excitations under the effect of an external electric field applied parallel to the polymer.
Externí odkaz:
http://arxiv.org/abs/2207.05173
In this work we propose a chemically-informed data-driven approach to benchmark the approximate density-functional tight-binding (DFTB) excited state (ES) methods that are currently available within the DFTB+ suite. By taking advantage of the large v
Externí odkaz:
http://arxiv.org/abs/2205.06195
Autor:
Berdakin, Matias, Soldano, German, Bonafé, Franco P., Liubov, Varlamova, Aradi, Bálint, Frauenheim, Thomas, Sánchez, Cristián G.
The harnessing of plasmon-induced hot carriers promises to open new avenues for the development of clean energies and chemical catalysis. The extraction of carriers before thermalization and recombination is of primordial importance to obtain appeali
Externí odkaz:
http://arxiv.org/abs/2201.13260
Autor:
Lien-Medrano, Carlos R., Bonafé, Franco P., Yam, Chi Yung, Palma, Carlos-Andres, Sánchez, Cristián G., Frauenheim, Thomas
Complex van der Waals heterostructures from layered molecular stacks are promising optoelectronic materials offering means to efficient, modular charge separation and collection layers. The effect of stacking in the electrodynamics of such hybrid org
Externí odkaz:
http://arxiv.org/abs/2108.07364
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Autor:
Bonafé, Franco P., Aradi, Bálint, Hourahine, Ben, Medrano, Carlos R., Hernández, Federico J., Frauenheim, Thomas, Sánchez, Cristián G.
The increasing need to simulate the dynamics of photoexcited molecular and nanosystems in the sub-picosecond regime demands new efficient tools able to describe the quantum nature of matter at a low computational cost. By combining the power of the a
Externí odkaz:
http://arxiv.org/abs/1912.03174
Autor:
Imoesi, Peter I., Olarte-Sánchez, Cristian M., Croce, Lorenzo, Blaner, William S., Morgan, Peter J., Heisler, Lora, McCaffery, Peter
Publikováno v:
In iScience 18 August 2023 26(8)
Autor:
Aedo-Sanchez, Cristian, Oliveros, José, Aranguiz, Constanza, Muñoz, Camila, Lazo-Maturana, Claudia, Aguilar-Vidal, Enzo
Publikováno v:
In Journal of Otology July 2023 18(3):111-117
Autor:
Ramírez, Francisco, Dundas, Daniel, Sánchez, Cristián G., Scherlis, Damian A., Todorov, Tchavdar N.
Publikováno v:
The Journal of Physical Chemistry C 2019
The so called Driven Liouville-von Neumann equation is a dynamical formulation to simulate a voltage bias across a molecular system and to model a time-dependent current in a grand-canonical framework. This approach introduces a damping term in the e
Externí odkaz:
http://arxiv.org/abs/1905.04393