C/Serrano 113bis, 121, 123. 28006 Madrid|Tlf: +34 91 561 68 00
XYouTube

A nuclear spin and spatial symmetry-adapted full quantum method for light particles inside carbon nanotubes: clusters of He-3, He-4, and para-H-2

2022-04-05T17:41:09+02:00Tags: , , , |

Authors: Pilar de Lara-Castells, Maria; Mitrushchenkov, Alexander O. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2021/04/07 DOI: 10.1039/d0cp05332e Abstract: We present a new nuclear spin and spatial symmetry-adapted full quantum method for light fermionic and bosonic particles under cylindrical carbon nanotube confinement. The goal is to address Fermi-Dirac and Bose-Einstein nuclear spin statistics on an [...]

Modelling interactions of cationic dimers in He droplets: microsolvation trends in HenK2+ clusters

2022-04-05T17:41:09+02:00Tags: , , , |

Authors: Alharzali, Nissrin; Rodriguez-Segundo, Raul; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2021/04/07 DOI: 10.1039/d0cp05406b Abstract: We report the results of a detailed theoretical investigation of small K-2(+)-doped He clusters. The structural characteristics and stabilities of such cations are determined from ab initio electronic structure calculations at the MRCI+Q level of theory. The [...]

Three states global fittings with improved long range: singlet and triplet states of H+3

2022-04-05T17:41:09+02:00Tags: , , , |

Authors: Aguado, Alfredo; Roncero, Octavio; Sanz-Sanz, Cristina Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2021/04/07 DOI: 10.1039/d0cp04100a Abstract: Full dimensional analytical fits of the coupled potential energy surfaces for the three lower singlet and triplet adiabatic states of H+3 are developed, providing analytic derivatives and non-adiabatic coupling matrix elements. The fits are highly accurate and [...]

Material properties particularly suited to be measured with helium scattering: selected examples from 2D materials, van der Waals heterostructures, glassy materials, catalytic substrates, topological insulators and superconducting radio frequency materials

2022-04-05T17:41:09+02:00Tags: , , , |

Authors: Holst, Bodil; Alexandrowicz, Gil; Avidor, Nadav; Benedek, Giorgio; Bracco, Gianangelo; Ernst, Wolfgang E.; Farias, Daniel; Jardine, Andrew P.; Lefmann, Kim; Manson, Joseph R.; Marquardt, Roberto; Artes, Salvador Miret; Sibener, Steven J.; Wells, Justin W.; Tamtoegl, Anton; Allison, William Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2021/04/07 DOI: 10.1039/d0cp05833e Abstract: Helium Atom Scattering (HAS) and [...]

The electron-phonon coupling constant for single-layer graphene on metal substrates determined from He atom scattering

2022-04-05T17:41:09+02:00Tags: , , , |

Authors: Benedek, Giorgio; Manson, Joseph R.; Miret-Artes, Salvador Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2021/04/07 DOI: 10.1039/d0cp04729e Abstract: Recent theory has demonstrated that the value of the electron-phonon coupling strength lambda can be extracted directly from the thermal attenuation (Debye-Waller factor) of helium atom scattering reflectivity. This theory is here extended to multivalley semimetal [...]

Aggregation of coronene: the effect of carboxyl and amine functional groups

2021-04-05T18:47:12+02:00Tags: , , , |

Authors: Correia, C. F. O.; Marques, J. M. C.; Bartolomei, M.; Pirani, F.; Macoas, E.; Martinho, J. M. G. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2021/01/14 DOI: 10.1039/d0cp05447j Abstract: The aggregation of coronene is relevant to understand the formation of carbon nanomaterials, including graphene quantum dots (GQDs) that show exceptional photophysical properties. This article [...]

Experimental Reconstruction of the Few-Photon Nonlinear Scattering Matrix from a Single Quantum Dot in a Nanophotonic Waveguide

2021-04-05T18:49:02+02:00Tags: , |

Authors: Le Jeannic, H.; Ramos, T.; Simonsen, S. F.; Pregnolato, T.; Liu, Z.; Schott, R.; Wieck, A. D.; Ludwig, A.; Rotenberg, N.; García-Ripoll, J. J.; Lodahl, P. Journal: PHYSICAL REVIEW LETTERS Publication date: 2021/01/13 DOI: 10.1103/PhysRevLett.126.023603 Abstract: Coherent photon-emitter interfaces offer a way to mediate efficient nonlinear photon-photon interactions, much needed for quantum information processing. [...]

SiO, (SiO)-Si-29, and (SiO)-Si-30 Emission from 67 Oxygen-rich Stars: A Survey of 61 Maser Lines from 7 to 1 mm

2021-04-01T20:21:00+02:00Tags: |

Authors: Rizzo, J. R.; Cernicharo, J.; Garcia-Miro, C. Journal: ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES Publication date: 2021/04/01 DOI: 10.3847/1538-4365/abe469 Abstract: Circumstellar environments of oxygen-rich stars are among the strongest SiO maser emitters. Physical processes such as collisions, infrared pumping, and overlaps favor the inversion of level population and produce maser emission at different vibrational states. Despite [...]

SiO, (SiO)-Si-29, and (SiO)-Si-30 Emission from 67 Oxygen-rich Stars: A Survey of 61 Maser Lines from 7 to 1 mm

2022-04-04T17:52:57+02:00Tags: |

Authors: Rizzo, J. R.; Cernicharo, J.; Garcia-Miro, C. Journal: ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES Publication date: 2021/04/01 DOI: 10.3847/1538-4365/abe469 Abstract: Circumstellar environments of oxygen-rich stars are among the strongest SiO maser emitters. Physical processes such as collisions, infrared pumping, and overlaps favor the inversion of level population and produce maser emission at different vibrational states. Despite [...]

IFF-CSIC
Toggle Sliding Bar Area
Go to Top