Related papers: Minimal model for charge transfer excitons at the …

As a platform for optoelectronic devices based on exciton dynamics, monolayer transition metal dichalcogenides (TMDCs) are often placed near metal interfaces or inside planar cavities. While the radiative properties of point dipoles at…

We study charge transfer between donor-acceptor molecules subject to a mirror symmetry constraint in the presence of a dissipative environment. The symmetry requirement leads to the breakdown of the standard single reaction coordinate…

In this article we address the theoretical study of a multiscale drift-diffusion (DD) model for the description of photoconversion mechanisms in organic solar cells. The multiscale nature of the formulation is based on the co-presence of…

We propose a continuum model for the theoretical study of hybridized moir\'e excitons in transition metal dichalcogenides heterobilayers, and we use a variational method to solve the exciton wavefunction and calculate the optical absorption…

Interfacial charge transfer plays an essential role in establishing the relative alignment of the metal Fermi level and the energy bands of organic semiconductors. While the details remain elusive in many systems, this charge transfer has…

Exciton and polaron pair dissociation is a key functional aspect of photovoltaic devices. To improve upon the current state of interfacial transport models, we augment the existing classical models of dielectric interfaces by incorporating…

Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response.…

Time-resolved and temperature-dependent photoluminescence measurements on one-dimensional sexithiophene lattices reveal intrinsic branching of photoexcitations to two distinct species: self-trapped excitons and dark charge-transfer excitons…

Coherence transfer is a multi-disciplinary topic of interest, including chemistry, biology and physics. In quantum technologies, achieving non-local coherent coupling between solid-state qubits is of the utmost importance. Here, we…

We present a flexible, automated, and basis-set insensitive domain-based charge-transfer (CT) decomposition framework that can be combined with any CI-type excited-state wavefunction. Our approach is not based on excited-state densities and…

An exciton, a two-body composite quasiparticle formed of an electron and hole, is a fundamental optical excitation in condensed-matter systems. Since its discovery nearly a century ago, a measurement of the excitonic wavefunction has…

We compute the exciton transfer (ET) rate between semiconducting single-wall carbon nanotubes (SWNTs). We show that the main reasons for the wide range of measured ET rates reported in the literature are 1) exciton confinement in local…

In recently developed non-fullerene acceptor (NFA) based organic solar cells (OSCs), both the donor and acceptor parts can be excited by absorbing light photons. Therefore, both electron transfer and hole transfer channels could occur at…

Optical emission from carbon nanotube transistors (CNTFETs) has recently attracted significant attention due to its potential applications. In this paper, we use a self-consistent numerical solution of the Boltzmann transport equation in…

Excitons dominate the optics of atomically-thin transition metal dichalcogenides and 2D van der Waals heterostructures. Interlayer 2D excitons, with an electron and a hole residing in different layers, form rapidly in heterostructures…

Van der Waals heterostructures made from atomically thin transition metal dichalcogenides (TMD) and graphene have emerged as a building block for optoelectronic devices. Such systems are also uniquely poised to investigate interfacial…

The magnetic field dependence of photoabsorption provides direct insights into the band structure of semiconductors. It is perhaps surprising that there is a large discrepancy between electron, hole, and reduced mass reported in the recent…

Theory predicts peculiar features for excited-state dynamics in one dimension (1D) that are difficult to be observed experimentally. Single-walled carbon nanotubes (SWNTs) are an excellent approximation to 1D quantum confinement, due to…

Photo-induced charge transfer of positive and negative charges across the interface between an ordered organic semiconductor and a polymeric insulator is observed in the field-effect experiments. Immobilization of the transferred charge in…

Harnessing the optoelectronic response of organic semiconductors requires a thorough understanding of the fundamental light-matter interaction that is dominated by the excitation of correlated electron-hole pairs, i.e. excitons. The nature…