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

We report on the charge spill-out and work function of epitaxial few-layer graphene on 6H-SiC(0001). Experiments from high-resolution, energy-filtered X-ray photoelectron emission microscopy (XPEEM) are combined with ab initio Density…

Hot-carrier solar cells are envisioned to utilize energy filtering to extract power from photogenerated electron-hole pairs before they thermalize with the lattice, and thus potentially offer higher power conversion efficiency compared to…

Organic Photovoltaic devices (OPVs) are becoming adequately cost and energy efficient to be considered a good investment and it is, therefore, especially important to have a concrete understanding of their operation. We compute energies of…

By means of first-principles methods we analyze the optical response of transparent dense sodium as a function of applied pressure. We discover an unusual kind of charge-transfer exciton that proceeds from the interstitial distribution of…

We investigate charge transfer in prototypical molecular donor-acceptor compounds using hybrid density functional theory (DFT) and the GW approximation at the perturbative level (G0W0) and at full self-consistency (sc-GW). For the systems…

We present a closed description of the charge carrier injection process from a conductor into an insulator. Common injection models are based on single electron descriptions, being problematic especially once the amount of charge-carriers…

We study the dark excitons at the interface of sharp lateral heterostructure of two-dimensional transition metal dichalcogenides. By introducing a low-energy effective Hamiltonian model, we find the energy dispersion relation of exciton and…

Transition metal dichalcogenides (TMDs), whether in bulk or in monolayer form, exhibit a rich variety of charge-density-wave (CDW) phases and stronger periodic lattice distortions. While the actual role of nesting has been under debate, it…

We develop a quantum model for the dynamics of carrier injection in a band that presents a strong carrier-vibration coupling. This coupling modifies the spectral density of the band and can even create pseudo-gaps that sign the onset of…

Photosynthetic light harvesting provides a natural blueprint for bioengineered and biomimetic solar energy and light detection technologies. Recent evidence suggests some individual light harvesting protein complexes (LHCs) and LHC subunits…

In monolayers of the semiconducting transition metal dichalcogenides, the electron-hole exchange interaction splits the exciton dispersion into a massive transverse branch, and a longitudinal branch that has very light or even zero mass…

A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…

Understanding charge separation dynamics in organic semiconductor blends is crucial for optimizing the performance of organic photovoltaic solar cells. In this study, we explored the optoelectronic properties and charge separation dynamics…

We study the interface exciton at lateral type II heterojunctions of monolayer transition metal dichalcogenides (TMDs), where the electron and hole prefer to stay at complementary sides of the junction. We find that the 1D interface exciton…

We present experimental studies on the charge transfer inefficiency (CTI) of charge-coupled device (CCD) developed for the soft X-ray imaging telescope, Xtend, aboard the XRISM satellite. The CCD is equipped with a charge injection (CI)…

In this paper we consider the essential electronic excited states in parallel chains of semiconducting polymers that are currently being explored for photovoltaic and light-emitting diode applications. In particular, we focus upon various…

We report on small-cluster exact-diagonalization calculations which prove the formation of electron-hole pairs (excitons) as prerequisite for spontaneous interlayer phase coherence in bilayer systems described by the extended…

We present an exciton/lattice model of the electronic dynamics of primary photoexcitations in a polymeric semiconductor heterojunction which includes both polymer pi-stacking, energetic disorder, and phonon relaxation. Results from our…

We theoretically studied the exciton geometric structure in layered semiconducting transition metal dichalcogenides. Based on a three-orbital tight-binding model for Bloch electrons which incorporates their geometric structures, an…

Scattering from conformal interfaces in two dimensions is universal in that the flux of reflected and transmitted energy does not depend on the details of the initial state. In this letter, we present the first gravitational calculation of…