Related papers: Molecularly Resolved Electronic Landscapes of Diff…
The qualitative solvent- and temperature-dependent conformational behavior of a peptide in the proximity of solid substrates with different adsorption properties is investigated by means of a simple lattice model. The resulting pseudophase…
This work continues the development of the raytracing method of [1] for computing the scattered fields from metasurfaces characterized by locally periodic reflection and transmission coefficients. In this work, instead of describing the…
Electromagnetic topological insulators have been explored extensively due to the robust edge states they support. In this work, we propose a topological electromagnetic system based on a line defect in topologically nontrivial photonic…
Interfacial ultrafast electron migration processes are simulated in finite cluster models of dye-sensitized solar cells within a single active electron approach. Initially, three different donor-acceptor $\pi$-conjugated dyes supported on…
Organic photovoltaic (OPV) materials offer a promising path toward sustainable energy generation, but their development is limited by the difficulty of identifying high performance donor and acceptor pairs with strong power conversion…
Organic semiconductors are indispensable for today's display technologies in form of organic light emitting diodes (OLEDs) and further optoelectronic applications. However, organic materials do not reach the same charge carrier mobility as…
Perovskite solar cells (PSCs) continue to be the front runner technology among emerging photovoltaic devices in terms of power conversion efficiency and application versatility. However, not only the stability but also the understanding of…
We investigate the molecular acceptors 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA), 2,3,5,6-tetra uoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), and 4,5,9,10-pyrenetetraone (PYTON) on Ag(111) using densityfunctional theory.…
Phase-coherent superconducting proximity in topological materials requires clean superconductor-topological material (SC-TM) interfaces, yet conventional top-contact fabrication often degrades them through oxidation, polymer residue, and…
As a methodology for controlling the carrier transport of topological insulators (TI's), a flexible tuning in carrier number on the surface states (SS's) of three dimensional TI's by surface modifications using organic molecules is…
The success of topological insulators (TI) in creating devices with unique functionalities is directly connected to the ability of coupling their helical spin states to well defined perturbations. However, up to now, TI-based…
The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule TCNQ…
Solar cells with a heterojunction between colloidal CuInS$_2$ and ZnO nanocrystals are an innovative concept in solution-processed photovoltaics, but the conversion efficiency cannot compete yet with devices employing lead chalcogenide…
Perovskite solar cells (PSCs) with transparent electrodes can be integrated with existing solar panels in tandem configurations to increase the power conversion efficiency. A critical layer in semi-transparent PSCs is the inorganic buffer…
As emphasized in a recent review article [Chem. Rev. 122, 14180 (2022)], organic solar cell (OSC) photoconversion efficiency has been rapidly evolving with results increasingly comparable to those of traditional inorganic solar cells.…
Single-molecule tip-enhanced Raman spectroscopy (TERS) under ultra-high vacuum (UHV) and cryogenic conditions enables exploration of the relations between the adsorption geometry, electronic state, and vibrational fingerprints of individual…
Molecular-scale diodes made from self-assembled monolayers (SAMs) could complement silicon-based technologies with smaller, cheaper, and more versatile devices. However, advancement of this emerging technology is limited by insufficient…
Topological insulators are materials that conduct on the surface and insulate in their interior due to non-trivial topological order. The edge states on the interface between topological (non-trivial) and conventional (trivial) insulators…
The emerging field of topology has brought device effects to a new level. Higher-order topological insulators (HOTIs) go beyond traditional descriptions of bulk-edge correspondence, broadening the understanding of topologically insulating…
The existence of cross-over resonances makes saturated-absorption spectra very complicated when external magnetic field B is applied. It is demonstrated for the first time that the use of micrometric-thin cells (MTC, $L\approx40\,\mu$m)…