Related papers: Hierarchy in the halogen activation during surface…
We demonstrate photon-mediated interactions between two individually trapped atoms coupled to a nanophotonic cavity. Specifically, we observe superradiant line broadening when the atoms are resonant with the cavity, and level repulsion when…
Nonlinear topological photonics is an emerging field aiming at extending the fascinating properties of topological states to the realm where interactions between the system constituents cannot be neglected. Interactions can indeed trigger…
Recently, a homogenization procedure has been proposed, based on the tight lower bounds of the Bergman-Milton formulation, and successfully applied to dilute ternary nanocomposites to predict optical data without using any fitting…
Recent experimental observations have reported that, rather than randomly distributed, nitrogen atoms may prefer to be located on one of the two sub-lattices of graphene. It has been suggested that such a preference may present a possible…
We study the interference of interacting electrons in toroidal single-wall carbon nanotubes coupled to metallic electrodes by tunnel junctions. The dc conductance shows resonant features as a function of the gate voltage and the magnetic…
Modeling chemical reactions with quantum chemical methods is challenging when the electronic structure varies significantly throughout the reaction, as well as when electronic excited states are involved. Multireference methods such as…
Strong coupling typically occurs between two separate objects or between an object and its environment (such as an atom and a cavity). However, it can also occur between two different excitations within the same object, a situation that has…
Chains of Na atoms and dicyanovinyl-quinquethiophene (DCV5T-Me2) molecules with ionic bonds form a superlattice on Au(111). Through a detailed analysis of the interchain distances obtained from scanning tunneling microscopy images at…
We investigate the band structure and topological phases of silicene embedded on halogenated Si(111) surface, by virtue of density functional theory and tight-binding calculations.Our results show that the Dirac character of low energy…
We explore the roles of electronic band structure and Coulomb interactions in solid-state HHG by studying the optical response of linear atomic chains and carbon nanotubes to intense ultrashort pulses. Specifically, we simulate electron…
We study bipolaron formation and bipolaronic superconductivity on a square lattice, where electrons couple to both local Holstein phonons via on-site charge density and nonlocal bond Su-Schrieffer-Heeger phonons via modulation of hopping…
Hydrogen is a promising energy carrier and key agent for many industrial chemical processes1. One method for generating hydrogen sustainably is via the hydrogen evolution reaction (HER), in which electrochemical reduction of protons is…
We show that a cooperative atom response in an optical lattice to resonant incident light can be employed for precise control and manipulation of light on a subwavelength scale. Specific collective excitation modes of the system that result…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
Using inelastic electron tunneling spectroscopy with the scanning tunneling microscope (STM-IETS) and density functional theory calculations (DFT), we investigated properties of a single H2 molecule trapped in nanocavities with controlled…
It is important to understand the mechanism of high-temperature superconductivity. It is obvious that the interaction with large energy scale is responsible for high critical temperature $T_c$. The Coulomb interaction is one of candidates…
Understanding and controlling the atomic structure of polar oxide surfaces is essential for unraveling surface reactivilty and designing advanced catalytic materials. Among these, the polar CeO2(100) surface is a prototypical and…
Carbon disulfide (CS$_2$) is one of the sulfur-bearing species expected to be present in the interstellar medium (ISM). In this study, we investigated the surface reactions of solid CS$_2$ with hydrogen (H) atoms on amorphous solid water…
Light-driven plasmonic enhancement of chemical reactions on metal catalysts is a promising strategy to achieve highly selective and efficient chemical transformations. The study of plasmonic catalyst materials has traditionally focused on…
Myoglobin modulates the binding of diatomic molecules to its heme group via hydrogen-bonding and steric interactions with neighboring residues, and is an important benchmark for computational studies of biomolecules. We have performed…