Mechano-Optical Switching of a Single Molecule with Doublet Emission

2021-02-12T10:08:02+01:00Tags: , , , |

Authors: Dolezal, Jiri; Mutombo, Pingo; Nachtigallova, Dana; Jelinek, Pavel; Merino, Pablo; Svec, Martin Contribution: Article Journal: ACS NANO Publication date: 2020/07/28 DOI: 10.1021/acsnano.0c03730 Abstract: The ability to control the emission from single-molecule quantum emitters is an important step toward their implementation in optoelectronic technology. Phthalocyanine and derived metal complexes on thin insulating layers studied by scanning [...]

Gold Chain Formation via Local Lifting of Surface Reconstruction by Hot Electron Injection on H-2(D-2)/Au(111)

2020-11-24T20:20:00+01:00Tags: , , , |

Authors: Merino, P.; Roslawska, A.; Grewal, A.; Leon, C. C.; Gonzalez, C.; Kuhnke, K.; Kern, K. Contribution: Article Journal: ACS NANO Publication date: 2020/11/24 DOI: 10.1021/acsnano.0c05507 Abstract: The hexagonal close packed surface of gold shows a 22 x root 3 herringbone surface reconstruction which makes it unique among the (111) surfaces of all metals. This long-range [...]

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 [...]

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 [...]

Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach

2020-01-16T12:54:24+01:00Tags: , , , , |

Authors: del Mazo-Sevillano, Pablo; Aguado, Alfredo; Jimenez, Elena; Suleimanov, Yury V.; Roncero, Octavio Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2019/04/18 DOI: 10.1021/acs.jpclett.9b00555 Abstract: The quantum dynamics of the title reactions are studied using the ring polymer molecular dynamics (RPMD) method from 20 to 1200 K using recently proposed full dimensional potential energy [...]

Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles

2020-01-16T12:54:19+01:00Tags: , , |

Authors: Schnedlitz, Martin; Fernandez-Perea, Ricardo; Knez, Daniel; Lasserus, Maximilian; Schiffmann, Alexander; Hofer, Ferdinand; Hauser, Andreas W.; Pilar de Lara-Castells, Maria; Ernst, Wolfgang E. Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2019/08/15 DOI: 10.1021/acs.jpcc.9b05765 Abstract: Structural changes of Ni-Au core shell nanoparticles with increasing temperature are studied at atomic resolution. The bimetallic clusters, synthesized [...]

Charge Carrier Injection Electroluminescence with CO-Functionalized Tips on Single Molecular Emitters

2019-12-01T20:19:00+01:00Tags: , , , , , |

Authors: Dolezal, Jiri; Merino, Pablo; Redondo, Jesus; Ondic, Lukas; Cahlik, Ales; Svec, Martin Contribution: Article Journal: NANO LETTERS Publication date: 2019/12/01 DOI: 10.1021/acs.nanolett.9b03180 Abstract: We investigate electroluminescence of single molecular emitters on NaCl on Ag(111) and Au(111) with submolecular resolution in a low-temperature scanning probe microscope with tunneling current, atomic force, and light detection capabilities. The [...]

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