Exploring the Catalytic Properties of Unsupported and TiO2-Supported Cu-5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation

2020-01-24T10:42:19+01:00Tags: , , |

Authors: Lopez-Caballero, Patricia; Hauser, Andreas W.; de Lara-Castells, Maria Pilar Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2019/09/19 DOI: 10.1021/acs.jpcc.9b06620 Abstract: In this work, we explore the decomposition of CO, on unsupported and TiO2-supported Cu, clusters via computational modeling, using both finite cluster and periodic slab structures of the rutile TiO2(110) surface. While [...]

On the Stability of Cu-5 Catalysts in Air Using Multireference Perturbation Theory

2020-01-24T10:38:01+01:00Tags: , , |

Authors: Zanchet, Alexandre; Lopez-Caballero, Patricia; Mitrushchenkov, Alexander O.; Buceta, David; Arturo Lopez-Quintela, Manuel; Hauser, Andreas W.;  de Lara-Castells, Maria Pilar Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2019/11/07 DOI: 10.1021/acs.jpcc.9b08378 Abstract: An ab initio study of the interaction of O-2, the most abundant radical and oxidant species in the atmosphere, with a Cu-5 [...]

The 3s versus 3p Rydberg state photodissociation dynamics of the ethyl radical

2020-01-24T10:35:50+01:00Tags: , , , |

Authors: Marggi Poullain, Sonia; Chicharro, David V.; Zanchet, Alexandre; Rubio-Lago, Luis; Garcia-Vela, Alberto; Bañares, Luis Contribution: Article Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2019/11/07 DOI: 10.1039/c9cp04273c Abstract: The photodissociation dynamics of the ethyl radical following excitation into the 3s and 3p Rydberg states are revisited in a joint experimental and theoretical study. Two different methods [...]

Ultrastrongly dissipative quantum Rabi model

2020-01-16T12:54:29+01:00Tags: , , |

Authors: Zueco, David; Garcia-Ripoll, Juanjo Contribution: Article Journal: PHYSICAL REVIEW A Publication date: 2019/01/03 DOI: 10.1103/PhysRevA.99.013807 Abstract: We discuss both the spectrum and the dynamics of cavity QED in the presence of dissipation beyond the standard perturbative treatment of losses. Using the dynamical polaron ansatz and matrix-product state simulations, we discuss the case where both light-matter [...]

Quantum dissipation of planar harmonic systems: Maxwell-Chern-Simons theory

2020-01-16T12:54:29+01:00Tags: , |

Authors: Valido, Antonio A. Contribution: Article Journal: PHYSICAL REVIEW D Publication date: 2019/01/03 DOI: 10.1103/PhysRevD.99.016003 Abstract: Conventional Brownian motion in harmonic systems has provided a deep understanding of a great diversity of dissipative phenomena. We address a rather fundamental microscopic description for the (linear) dissipative dynamics of two-dimensional harmonic oscillators that contains the conventional Brownian motion [...]

Anisotropic Quantum Emitter Interactions in Two-Dimensional Photonic-Crystal Baths

2020-01-16T12:54:29+01:00Tags: , , , |

Authors: Gonzalez-Tudela, Alejandro; Galve, Fernando Contribution: Article Journal: ACS PHOTONICS Publication date: 2019/01/01 DOI: 10.1021/acsphotonics.8b01455 Abstract: Quantum emitters interacting with two-dimensional photonic-crystal baths experience strong and anisotropic collective dissipation when they are spectrally tuned to 2D Van-Hove singularities. In this work, we show how to turn this dissipation into coherent dipole-dipole interactions with tunable range by [...]

A Single Hydrogen Molecule as an Intensity Chopper in an Electrically Driven Plasmonic Nanocavity

2020-01-16T12:54:29+01:00Tags: , , , , , |

Authors: Merino, Pablo; Roslawska, Anna; Leon, Christopher C.; Grewal, Abhishek; Grosse, Christoph; Gonzalez, Cesar; Kuhnke, Klaus; Kern, Klaus Contribution: Article Journal: NANO LETTERS Publication date: 2019/01/01 DOI: 10.1021/acs.nanolett.8b03753 Abstract: Photon statistics is a powerful tool for characterizing the emission dynamics of nanoscopic systems and their photophysics. Recent advances that combine correlation spectroscopy with scanning tunneling microscopy [...]

Enhancement of the degree of control of photofragment distributions by laser phase modulation

2020-01-16T12:54:28+01:00Tags: , , , , |

Authors: Garcia-Vela, A. Contribution: Article Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Publication date: 2019/02/15 DOI: 10.1002/qua.25813 Abstract: The possibility of enhancing the degree of control of a transient photofragment distribution achieved by means of laser phase modulation is explored. Such a control is exerted through interference between overlapping resonances, which are populated in a superposition by [...]

Origin band of the first photoionizing transition of hydrogen isocyanide

2020-01-16T12:54:28+01:00Tags: , , , |

Authors: Gans, Berenger; Garcia, Gustavo A.; Boye-Peronne, Severine; Pratt, Stephen T.; Guillemin, Jean-Claude; Aguado, Alfredo; Roncero, Octavio; Loison, Jean-Christophe Contribution: Article Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2019/02/07 DOI: 10.1039/c8cp07737a Abstract: The photoelectron spectrum of the X-1 sigma(+) X+2 sigma(+) ionizing transition of hydrogen isocyanide (HNC) is measured for the first time at a fixed [...]

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