相关论文: Relating Chromophoric and Structural Disorder in C…
The charge state of a molecule governs its physicochemical properties, such as conformation, reactivity and aromaticity, with implications for on-surface synthesis, catalysis, photo conversion and applications in molecular electronics. On…
Attosecond spectroscopy comprises several techniques to probe matter through electrons and photons. One frontier of attosecond methods is to reveal complex phenomena arising from quantum-mechanical correlations in the matter system, in the…
When a chromophore interacts with titrable molecular sites, the modeling of its photophysical properties requires to take into account all their possible protonation states. We have developed a multi-scale protocol, based on constant-pH…
We calculate experimentally measurable signatures of quantum correlations in a coupled molecular dimer that strongly interacts with its vibrational environment. We investigate intensity and mode-resolved photon coincidences for different…
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 chromophores with heteroatoms possess an important excited state relaxation channel from an optically allowed {\pi}{\pi}* to a dark n{\pi}*state. We exploit the element and site specificity of soft x-ray absorption spectroscopy to…
The Born-Oppenheimer approximation is one of the very successful tools for solving the hydrogen atom problem. The experimental discovery of hidden heavy flavor tetraquarks, $Q\bar{Q}q \bar{q}$ ($Q=c,b$ and $q=u,d,s$), provides great…
Although the structural phase transitions in single-crystal hybrid methyl-ammonium (MA) lead halide perovskites (MAPbX3, X = Cl, Br, I) are common phenomena, they have never been observed in the corresponding nanocrystals. Here we…
Diketopyrrolopyrroles are a popular class of electron-withdrawing unit in optoelectronic materials. When combined with electron donating side-chain functional groups such as thiophenes, they form a very broad class of donor-acceptor…
Using small angle neutron scattering, we conducted a detailed structural study of poly(3-alkylthiophenes) dispersed in deuterated dicholorbenzene. The focus was placed on addressing the influence of spatial arrangement of constituent atoms…
Terahertz time domain spectroscopy and rigorous simulations are used to probe the coupling between a dark and a bright plasmonic eigenmode in a metamaterial with broken symmetry. The metamaterial consists of two closely spaced split ring…
Contact resistances often contribute significantly to the overall device resistance in organic field-effect transistors (OFETs). Understanding charge injection at the metal-organic interface is critical to optimizing OFET device…
We theoretically investigate the effects of long-range disorder and electron-electron interactions on the optical properties of hexagonal armchair graphene quantum dots consisting of up to 10806 atoms. The numerical calculations are…
Understanding the opto-electronic properties of semiconducting polymers under external strain is essential for their applications in flexible opto-electronic, light-emitting and photovoltaic devices. While prior studies have highlighted the…
The semiconducting properties of regioregular poly(3-hexylthiophene) are characterized by impedance measurements, from 40 Hz to 100 MHz. X-ray diffraction shows the presence of both ordered and disordered regions. The analysis of impedance…
In this Letter we show that the strong coupling between a disordered set of molecular emitters and surface plasmons leads to the formation of spatially coherent hybrid states extended on acroscopic distances. Young type interferometric…
The dynamic feature of monochromatic bi-modal chaotic optical field, enriched with orthogonally-polarized basis-modes propagating collinearly and undergoing Degenerate Parametric Amplification, is investigated to demonstrate Squeezing in…
Bilayer antiferromagnets CrX$_{3}$ (X $=$ Cl, Br, and I) are promising materials for spintronics and optoelectronics that are rooted in their peculiar electronic structures. However, their bands are often hybridized from the interlayer…
Structural colors are produced by wavelength-dependent scattering of light from nanostructures. While living organisms often exploit phase separation to directly assemble structurally colored materials from macromolecules, synthetic…
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne structures, and the relation with electronic properties. In…