Peer-reviewed publications by IFF-CSIC researchers in 2021

Helium Isotopes Quantum Sieving through Graphtriyne Membranes

2022-04-05T17:41:22+02:00Tags: , , , |

Authors: Hernandez, Marta I.; Bartolomei, Massimiliano; Campos-Martinez, Jose Journal: NANOMATERIALS Publication date: 2021/01/01 DOI: 10.3390/nano11010073 Abstract: We report accurate quantum calculations of the sieving of Helium atoms by two-dimensional (2D) graphtriyne layers with a new interaction potential. Thermal rate constants and permeances in an ample temperature range are computed and compared for both Helium isotopes. [...]

Comprehensive rotational study and astronomical search for cyclopropanecarboxaldehyde

2022-04-05T17:41:22+02:00Tags: |

Authors: Cabezas, C.; Neeman, E. M.; Tercero, B.; Bermudez, C.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/01/15 DOI: 10.1051/0004-6361/202039924 Abstract: Context. At least a dozen molecules with a formyl group (HCO) have been observed to date in the interstellar medium (ISM), suggesting that other such species exist and remain to be discovered. However, [...]

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

2022-04-05T17:41:22+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

2022-04-05T17:41:22+02:00Tags: , |

Authors: Le Jeannic, Hanna; Ramos, Tomas; Simonsen, Signe F.; Pregnolato, Tommaso; Liu, Zhe; Schott, Ruediger; Wieck, Andreas D.; Ludwig, Arne; Rotenberg, Nir; Jose Garcia-Ripoll, Juan; Lodahl, Peter 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. [...]

Yebes 40 m radio telescope and the broad band Nanocosmos receivers at 7 mm and 3 mm for line surveys

2022-04-05T17:41:22+02:00Tags: |

Authors: Tercero, F.; Lopez-Perez, J. A.; Gallego, J. D.; Beltran, F.; Garcia, O.; Patino-Esteban, M.; Lopez-Fernandez, I.; Gomez-Molina, G.; Diez, M.; Garcia-Carreno, P.; Malo, I.; Amils, R.; Serna, J. M.; Albo, C.; Hernandez, J. M.; Vaquero, B.; Gonzalez-Garcia, J.; Barbas, L.; Lopez-Fernandez, J. A.; Bujarrabal, V.; Gomez-Garrido, M.; Pardo, J. R.; Santander-Garcia, M.; Tercero, B.; [...]

Silicon and Hydrogen Chemistry under Laboratory Conditions Mimicking the Atmosphere of Evolved Stars

2022-04-05T17:41:22+02:00Tags: |

Authors: Accolla, Mario; Santoro, Gonzalo; Merino, Pablo; Martinez, Lidia; Tajuelo-Castilla, Guillermo; Vazquez, Luis; Sobrado, Jesus M.; Agundez, Marcelino; Jimenez-Redondo, Miguel; Herrero, Victor J.; Tanarro, Isabel; Cernicharo, Jose; Martin-Gago, Jose Angel Journal: ASTROPHYSICAL JOURNAL Publication date: 2021/01/01 DOI: 10.3847/1538-4357/abc703 Abstract: Silicon is present in interstellar dust grains, meteorites and asteroids, and to date 13 silicon-bearing molecules [...]

Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium

2022-04-05T17:41:19+02:00Tags: , , , , |

Authors: Insausti, Aran; Alonso, Elena R.; Tercero, Belen; Santos, Jose, I; Calabrese, Camilla; Vogt, Natalja; Corzana, Francisco; Demaison, Jean; Cernicharo, Jose; Cocinero, Emilio J. Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2021/02/04 DOI: 10.1021/acs.jpclett.0c03050 Abstract: Rotational spectroscopy provides the most powerful means of identifying molecules of biological interest in the interstellar medium (ISM), but [...]

Statistical investigations of the S(D-1) plus HD reaction in the quantum regime

2022-04-05T17:41:19+02:00Tags: , , , |

Authors: Gonzalez-Lezana, Tomas; Larregaray, Pascal; Bonnet, Laurent Journal: CHEMICAL PHYSICS LETTERS Publication date: 2021/01/16 DOI: 10.1016/j.cplett.2020.138228 Abstract: The dynamics of the Se (D-1)+HD reaction has been investigated in the low energy regime by means of a statistical quantum method and mean potential phase space theory. Statistical predictions for cross sections down to 10(-4) eV and [...]

Space and laboratory observation of the deuterated cyanomethyl radical HDCCN

2022-04-05T17:41:19+02:00Tags: |

Authors: Cabezas, C.; Endo, Y.; Roueff, E.; Marcelino, N.; Agundez, M.; Tercero, B.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/01/29 DOI: 10.1051/0004-6361/202040210 Abstract: Our observations of TMC-1 with the Yebes 40 m radio telescope in the 31.0-50.3 GHz range allowed us to detect a group of unidentified lines, showing a complex line pattern [...]

Exploring CO2@sI Clathrate Hydrates as CO2 Storage Agents by Computational Density Functional Approaches

2022-04-05T17:41:19+02:00Tags: , , , |

Authors: Cabrera-Ramirez, Adriana; Arismendi-Arrieta, Daniel J.; Valdes, Alvaro; Prosmiti, Rita Journal: CHEMPHYSCHEM Publication date: 2021/02/16 DOI: 10.1002/cphc.202001035 Abstract: The formation of specific clathrate hydrates and their transformation at given thermodynamic conditions depends on the interactions between the guest molecule/s and the host water lattice. Understanding their structural stability is essential to control structure-property relations involved [...]

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