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Approximate DFT-based methods for generating diabatic states and calculating electronic couplings: models of two and more states

artículo científico publicado en 2018

Coherent Real-Space Charge Transport Across a Donor-Acceptor Interface Mediated by Vibronic Couplings

scientific article published on 13 November 2019

Controlling the emission frequency of graphene nanoribbon emitters based on spatially excited topological boundary states

scientific article published on 17 March 2020

Electron-Phonon Coupling in Current-Driven Single-Molecule Junctions

scientific article published on 04 February 2020

Enhanced photocurrent in heterostructures formed between CH3NH3PbI3 perovskite films and graphdiyne

artículo científico publicado en 2020

First-Principles Nonequilibrium Green’s Function Approach to Energy Conversion in Nanoscale Optoelectronics

scientific article published in 2022

First-principles study of intrinsic defects in formamidinium lead triiodide perovskite solar cell absorbers.

artículo científico publicado en 2018

Multiscale Study of Plasmonic Scattering and Light Trapping Effect in Silicon Nanowire Array Solar Cells.

artículo científico publicado en 2017

Plasmonic circular dichroism of vesicle-like nanostructures by the template-less self-assembly of achiral Janus nanoparticles

artículo científico publicado en 2018

Suppressed Carrier Recombination in Janus MoSSe Bilayer Stacks: A Time-Domain Ab Initio Study

scientific article published on 05 September 2019

Theoretical investigation of real-time charge dynamics in open systems coupled to bulk materials

scientific article published on 01 May 2019

Tunable Photoresponse by Gate Modulation in Bilayer Graphene Nanoribbon Devices

scientific article published on 03 December 2019

Tweaking the Electronic and Optical Properties of α-MoO3 by Sulphur and Selenium Doping - a Density Functional Theory Study.

artículo científico publicado en 2018