Related papers: Photo-induced intermolecular charge transfer in po…
Interfaces between molecules and 2D materials exhibit energy-driven functionalities, wherein charge transfer directs molecular motion. Unlike equilibrium systems, where molecular assemblies settle into static configurations, continuous…
The dynamics of excitons in disordered molecular solids is studied theoretically, taking into account migration between different sites, recombination, and dissociation into free charge carriers in the presence of an electric field. The…
The sensitivity of NMR and MRI can be boosted via hyperpolarization of nuclear spins. However, current methods are costly, polarization is relatively low, or applicability is limited. Here, we report a new hyperpolarization method combining…
We employ dispersion-corrected density-functional theory to study the adsorption of tetrapyrrole 2H-porphine (2H-P) at Cu(111) and Ag(111). Various contributions to adsorbate-substrate and adsorbate-adsorbate interactions are systematically…
The interaction of the dye molecule N3 (cis-bis(isothiocyanato)bis(2,2-bipyridyl-4,4'-dicarboxylato)-ruthenium(II)) with the ultra-thin oxide layer on a AlNi(110) substrate, has been studied using synchrotron radiation based photoelectron…
We report detailed studies of the slow relaxation of the photoinduced excess charge carriers in organic metal-insulator-semiconductor field effect transistors consisting of poly(3-hexylthiophene) as the active layer. The relaxation process…
The electronic structure of a multichromophoric molecular complex containing two of each borondipyrromethane dye, Zn-tetraphenyl-porphyrin, bisphenyl anthracene and a fullerene are studied using density functional theory. The snowflake…
Organic-inorganic lead halide perovskites containing a mixture of iodide and bromide anions consistently perform better in donor-acceptor heterojunction solar cells than the standard methylammonium lead triiodide material. This observation…
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced…
We report microscopic calculations of free energies and entropies for intramolecular electron transfer reactions. The calculation algorithm combines the atomistic geometry and charge distribution of a molecular solute obtained from quantum…
Using the Landau-Ginzburg-Devonshire approach, we study light-induced phase transitions, evolution of polar state and domain morphology in photo-ferroelectric nanoparticles (NPs). Light exposure increases the free carrier density near the…
We study how entanglement in photoionization is transferred from an electron-ion pair to an electron-photon pair by fluorescence. Time-resolved von Neumann entropies are used to establish how information is shared between the particles.…
Photochromic molecular structures constitute a unique platform for constructing molecular switches, sensors and memory devices. One of their most promising applications is as light-switchable electron acceptor or donor units. Here, we…
We report on the direct mapping of electron transfer in the momentum space of bulk MoS$_2$ by means of time- and angle-resolved two-photon photoemission with a high-harmonic probe. For this purpose, we have combined a high-repetition rate…
Metal oxide nanocrystals are emerging as extremely versatile material for addressing many of the current challenging demands of energy-conversion technology. Being able to exploit their full potential is not only an advantage but also a…
With the increasing energy crisis and the prevalent concept of green sustainability, quantum dot materials have become a hot spot in the academic and industrial fields of chemistry. Due to unique, tailor-made photovoltaic properties based…
We demonstrate a method which can hyperpolarize both the electron and nuclear spins of 31P donors in Si at low field, where both would be essentially unpolarized in equilibrium. It is based on the selective ionization of donors in a…
We probed the charge transfer interaction between the amine-containing molecules: hydrazine, polyaniline and aminobutyl phosphonic acid, and carbon nanotube field effect transistors (CNTFETs). We successfully converted p-type CNTFETs to…
We study the transient photoluminescence (PL) of photoexcited metals by solving the Boltzmann equation considering the effects of electron-electron (e-e) and electron-phonon (e-ph) collisions, where the e-ph coupling function is calculated…
Understanding photophysical properties of DNA is important: It can help us elucidate and probe the impact of charges and free radicals in the cellular environment. For example, a photoemission at a given nucleobase means that we both charge…