Publications (2019)
Publications sorted by date descending
Quantum battery supercharging via counter-diabatic dynamics
Authors: de Moraes, L. F. C.; Duriez, Alan C.; Saguia, A.; Santos, Alan C.; Sarandy, M. S.
Journal: QUANTUM SCIENCE AND TECHNOLOGY
Publication date: 2024/10/01
Abstract: We introduce a counter-diabatic (CD) approach for deriving Hamiltonians modeling superchargable quantum batteries (QBs). A necessary requirement for the supercharging process is the existence of multipartite interactions among the cells of the battery. Remarkably, this condition may be insufficient no matter the number of multipartite terms in the Hamiltonian. We analytically illustrate this kind of insufficiency through a model of QB based on […]
Formation of the Interstellar Sugar Precursor, (Z)-1,2-Ethenediol, through Radical Reactions on Dust Grains
Authors: del Valle, Juan Carlos; Redondo, Pilar; Kaestner, Johannes; Molpeceres, German
Journal: ASTROPHYSICAL JOURNAL
Publication date: 2024/10/01
Abstract: In recent years, the continued detection of complex organic molecules of prebiotic interest has refueled the interest in a panspermic origin of life. The prebiotic molecule glyceraldehyde is proposed to be formed from (Z)-1,2-ethenediol, a molecule recently detected toward the G+0.693-0.027 molecular cloud at the galactic center. In this work, we computationally simulate the formation of (Z)-1,2-ethenediol from vinyl alcohol on the surface of amorphous solid water in a two-step synthesis […]
A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu3 adsorption on benzene/coronene
Authors: Krupka, Katarzyna M.; Krzeminska, Agnieszka; de Lara-Castells, Maria Pilar
Journal: RSC ADVANCES
Publication date: 2024/10/01
DOI: 10.1039/d4ra05401f
Abstract: Current advances in synthesizing and characterizing atomically precise monodisperse metal clusters (AMCs) at the subnanometer scale have opened up fascinating possibilities in designing new heterogeneous (photo)catalysts as well as functional interfaces between AMCs and biologically relevant molecules. Understanding the nature of AMC-support interactions at molecular-level is essential for optimizing (photo)catalysts performance and designing novel ones with improved properties. M & oslash;ller-Plesset second-order perturbation theory (MP2) is one of the most cost-efficient single-reference […]
Methane Formation Efficiency on Icy Grains: Role of Adsorption States
Authors: Tsuge, Masashi; Molpeceres, German; Aikawa, Yuri; Watanabe, Naoki
Journal: ASTROPHYSICAL JOURNAL
Publication date: 2024/10/01
Abstract: Methane (CH4) is one of the major components of the icy mantle of cosmic dust prevalent in cold, dense regions of interstellar media, playing an important role in the synthesis of complex organic molecules and prebiotic molecules. Solid CH4 is considered to be formed via the successive hydrogenation of C atoms accreting onto dust: C + 4H -> CH4. However, most astrochemical models assume this reaction on the ice mantles of dust to […]
The Galaxy Activity, Torus, and Outflow Survey (GATOS). IV. Exploring Ionized Gas Outflows in Central Kiloparsec Regions of GATOS Seyferts
Authors: Zhang, Lulu; Packham, Chris; Hicks, Erin K. S.; Davies, Ric I.; Shimizu, Taro T.; Alonso-Herrero, Almudena; Munoz, Laura Hermosa; Garcia-Bernete, Ismael; Pereira-Santaella, Miguel; Audibert, Anelise; Lopez-Rodriguez, Enrique; Bellocchi, Enrica; Bunker, Andrew J.; Combes, Francoise; Diaz-Santos, Tanio; Gandhi, Poshak; Garcia-Burillo, Santiago; Garcia-Lorenzo, Begona; Gonzalez-Martin, Omaira; Imanishi, Masatoshi; Labiano, Alvaro; Leist, Mason T.; Levenson, Nancy A.; Almeida, Cristina Ramos; Ricci, Claudio; Rigopoulou, Dimitra; Rosario, David J.; Stalevski, Marko; Ward, Martin J.; Esparza-Arredondo, Donaji; Delaney, Dan; Fuller, Lindsay; Haidar, Houda; Honig, Sebastian; Izumi, Takuma; Rouan, Daniel
Journal: ASTROPHYSICAL JOURNAL
Publication date: 2024/10/01
H3+ absorption and emission in local (U)LIRGs with JWST/NIRSpec: Evidence for high H2 ionization rates
Authors: Pereira-Santaella, Miguel; Gonzalez-Alfonso, Eduardo; Garcia-Bernete, Ismael; Donnan, Fergus R.; Santa-Maria, Miriam G.; Goicoechea, Javier R.; Lamperti, Isabella; Perna, Michele; Rigopoulou, Dimitra
Journal: ASTRONOMY & ASTROPHYSICS
Publication date: 2024/09/26
DOI: 10.1051/0004-6361/202451741
Abstract: We study the 3.4 – 4.4 mu m fundamental rovibrational band of H3+, a key tracer of the ionization of the molecular interstellar medium (ISM), in a sample of 12 local (d
Absolute control over the quantum yield of a photodissociation reaction mediated by nonadiabatic couplings
Authors: Sola, Ignacio R.; Garcia-Vela, Alberto
Journal: CHEMICAL SCIENCE
Publication date: 2024/09/25
DOI: 10.1039/d4sc03235g
Abstract: Control of molecular reaction dynamics with laser pulses has been developed in the last decades. Among the different magnitudes whose control has been actively pursued, the branching ratio between different product channels constitutes the clearest signature of quantum control. In polyatomic molecules, the dynamics in the excited state is quagmired by non-adiabatic couplings, which are not directly affected by the laser, making control over the branching ratio a very demanding challenge. Here we present a control […]
Separation of oxygen from nitrogen using a graphdiyne membrane: a quantum-mechanical study
Authors: Rafiei, Maryam A.; Campos-Martinez, Jose; Bartolomei, Massimiliano; Pirani, Fernando; Maghari, Ali; Hernandez, Marta I.
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2024/09/25
DOI: 10.1039/d4cp02287d
Abstract: Efficient separation of oxygen and nitrogen from air is a process of great importance for many industrial and medical applications. Two-dimensional (2D) membranes are very promising materials for separation of gases, as they offer enhanced mass transport due to their smallest atomic thickness. In this work, we examine the capacity of graphdiyne (GDY), a new 2D carbon allotrope with regular subnanometric pores, for separating oxygen […]
Deciphering the imprint of active galactic nucleus feedback in Seyfert galaxies: Nuclear-scale molecular gas deficits
Authors: Garcia-Burillo, S.; Hicks, E. K. S.; Alonso-Herrero, A.; Pereira-Santaella, M.; Usero, A.; Querejeta, M.; Gonzalez-Martin, O.; Delaney, D.; Almeida, C. Ramos; Combes, F.; Angles-Alcazar, D.; Audibert, A.; Bellocchi, E.; Davies, R. I.; Davis, T. A.; Elford, J. S.; Garcia-Bernete, I.; Honig, S.; Labiano, A.; Leist, M. T.; Levenson, N. A.; Lopez-Rodriguez, E.; Mercedes-Feliz, J.; Packham, C.; Ricci, C.; Rosario, D. J.; Shimizu, T.; Stalevski, M.; Zhang, L.
Journal: ASTRONOMY & ASTROPHYSICS
Publication date: 2024/09/24
DOI: 10.1051/0004-6361/202450268
Abstract: We study the distribution of cold molecular gas in the circumunuclear disks (CND; […]
¡El IFF oferta hasta 8 becas JAE Intro ICU 2024!
¡Recepción de solicitudes hasta el 30 de septiembre! (Plazo finalizado)
La Presidencia del CSIC ha convocado hasta un máximo de 400 becas de introducción a la investigación “JAE Intro ICU 2024” orientadas a estudiantes universitarios de grado/master con el objetivo de que se inicien en la actividad investigadora. De ellas, el IFF oferta hasta 8 becas JAE Intro ICU. A continuación os mostramos una tabla con los planes de formación ofertados y el personal investigador responsable. Al final del post resumimos los aspectos generales de la convocatoria (fechas de presentación, normativa, etc). ¡Os animamos a […]
GATOS: missing molecular gas in the outflow of NGC 5728 revealed by JWST
Authors: Davies, R.; Shimizu, T.; Pereira-Santaella, M.; Alonso-Herrero, A.; Audibert, A.; Bellocchi, E.; Boorman, P.; Campbell, S.; Cao, Y.; Combes, F.; Delaney, D.; Diaz-Santos, T.; Eisenhauer, F.; Esparza Arredondo, D.; Feuchtgruber, H.; Foerster Schreiber, N. M.; Fuller, L.; Gandhi, P.; Garcia-Bernete, I.; Garcia-Burillo, S.; Garcia-Lorenzo, B.; Genzel, R.; Gillessen, S.; Gonzalez Martin, O.; Haidar, H.; Hermosa Munoz, L.; Hicks, E. K. S.; Hoenig, S.; Imanishi, M.; Izumi, T.; Labiano, A.; Leist, M.; Levenson, N. A.; Lopez-Rodriguez, E.; Lutz, D.; Ott, T.; Packham, C.; Rabien, S.; Ramos Almeida, C.; Ricci, C.; Rigopoulou, D.; Rosario, D.; Rouan, D.; Santos, D. […]
The role of Na decoration on the hydrogen adsorption on coronene: A combined experimental and computational study
Authors: Garcia-Arroyo, Esther; Reider, Anna Maria; Kollotzek, Siegfried; Foitzik, Florian; Campos-Martinez, Jose; Bartolomei, Massimiliano; Pirani, Fernando; Hernandez, Marta I.; Mella, Massimo; Scheier, Paul
Journal: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Publication date: 2024/09/19
DOI: 10.1016/j.ijhydene.2024.07.425
Abstract: Functionalizing carbon-based materials with metal atoms has been proposed as an effective method to enhance the adsorption of hydrogen molecules on these substrates, thereby developing new useful systems for hydrogen storage. In this work, we investigate both experimentally and theoretically the role of sodium atom decoration on hydrogen attachment to coronene, a polycyclic aromatic hydrocarbon considered […]
Rotational spectra of five cyano derivatives of fluorene
Authors: Cabezas, Carlos; Janeiro, Jesus; Steber, Amanda L.; Perez, Dolores; Bermudez, Celina; Guitian, Enrique; Lesarri, Alberto; Cernicharo, Jose
Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publication date: 2024/09/18
DOI: 10.1039/d4cp01924e
Abstract: The recent interstellar detection of individual polycyclic aromatic hydrocarbons (PAHs) in the dense molecular cloud TMC-1 brings interest in related species that could be present in this astronomical environment. These detections, that include pure PAHs and their cyano-derivative counterparts, were performed through the interplay between laboratory rotational spectroscopy experiments and radioastronomical observations. Here, we present the laboratory rotational spectroscopic study of the […]
Toolbox for nonreciprocal dispersive models in circuit quantum electrodynamics
Authors: Labarca, Lautaro; Benhayoune-Khadraoui, Othmane; Blais, Alexandre; Parra-Rodriguez, Adrian
Journal: PHYSICAL REVIEW APPLIED
Publication date: 2024/09/16
DOI: 10.1103/PhysRevApplied.22.034038
Abstract: We provide a systematic method for constructing effective dispersive Lindblad master equations to describe weakly anharmonic superconducting circuits coupled by a generic dissipationless nonreciprocal linear system, with effective coupling parameters and decay rates written in terms of the immittance parameters characterizing the coupler. This article extends the foundational work of Solgun et al. [IEEE Trans. Microw. Theory Techn. 67, 928 (2019)] for linear reciprocal couplers described by an impedance response. Notably, we […]
Multiplexed quantum state transfer in waveguides
Authors: Penas, Guillermo F.; Puebla, Ricardo; Garcia-Ripoll, Juan Jose
Journal: PHYSICAL REVIEW RESEARCH
Publication date: 2024/09/13
DOI: 10.1103/PhysRevResearch.6.033294
Abstract: In this article, we consider a realistic waveguide implementation of a quantum network that serves as a testbed to show how to maximize the storage and manipulation of quantum information in QED setups. We analyze two approaches using wavepacket engineering and quantum state transfer protocols. First, we propose and design a family of orthogonal photons in the time domain. These photons allow for a selective interaction with distinct targeted qubits. Yet, mode […]