Physical; Nanoscience & Nanotechnology; Materials Science Archivos

Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO-D Bond Dissociation Energy

Marcelo Castellanos2023-11-30T17:20:00+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Kumar, Sarvesh; Hoshino, Masamitsu; Kerkeni, Boutheina; Garcia, Gustavo; Limao-Vieira, Paulo Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2023/06/05 DOI: 10.1021/acs.jpclett.3c00786 Abstract: H2O/D2O negative ion time-of-flightmassspectra from electron transfer processes at different collision energieswith neutral potassium yield OH-/OD-, O-, and H-/D-. The branching ratios show a relevant energy dependence with animportant isotope effect in [...]

Real Space Visualization of Entangled Excitonic States in Charged Molecular Assemblies

Marcelo Castellanos2023-02-21T13:37:20+01:00Tags: Chemistry, Multidisciplinary; Chemistry, Multidisciplinary. , Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Dolezal, Jiri; Canola, Sofia; Hapala, Prokop; Ferreira, Rodrigo Cezar de Campos; Merino, Pablo; Svec, Martin Journal: ACS NANO Publication date: 2022/01/25 DOI: 10.1021/acsnano.1c08816 Abstract: Entanglement of excitons holds great promise for the future of quantum computing, which would use individual molecular dyes as building blocks of their circuitry. Studying entangled excitonic eigenstates emerging in [...]

Observation of Transient Anions That Do Not Decay through Dissociative Electron Attachment: New Pathways for Radiosensitization

Marcelo Castellanos2023-02-21T13:36:28+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Lozano, Ana I.; Kossoski, Fabris; Blanco, Francisco; Limao-Vieira, Paulo; Varella, Marcio T. do N.; Garcia, Gustavo Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2022/08/04 DOI: 10.1021/acs.jpclett.2c01704 Abstract: Low-energy electrons (LEEs) can very efficiently induce bond breaking via dissociative electron attachment (DEA). While DEA is ubiquitous, the importance of other reactions initiated by LEEs [...]

Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest-Lattice Energies, Crystal Structure, and Pressure Dependencies

Marcelo Castellanos2023-02-21T13:36:23+01:00Tags: Chemistry, Multidisciplinary. , Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Cabrera-Ramirez, Adriana; Prosmiti, Rita Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2022/09/08 DOI: 10.1021/acs.jpcc.2c04140 Abstract: We performed first-principles computations to investigate the complex interplay of molecular interaction energies in determining the lattice structure and stability of CO2@sH clathrate hydrates. Density functional theory computations using periodic boundary conditions were employed to characterize energetics and [...]

Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest-Lattice Energies, Crystal Structure, and Pressure Dependencies

Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest-Lattice Energies, Crystal Structure, and Pressure Dependencies

Marcelo Castellanos2023-01-30T17:41:47+01:00Tags: Chemistry, Multidisciplinary. , Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Cabrera-Ramirez, Adriana; Prosmiti, Rita Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2022/09/08 DOI: 10.1021/acs.jpcc.2c04140 Abstract: We performed first-principles computations to investigate the complex interplay of molecular interaction energies in determining the lattice structure and stability of CO2@sH clathrate hydrates. Density functional theory computations using periodic boundary conditions were employed to characterize energetics and [...]

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

Marcelo Castellanos2022-04-05T17:41:19+02:00Tags: Atomic, Chemistry, Molecular & Chemical. , Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

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 [...]

Exciton-Trion Conversion Dynamics in a Single Molecule

Marcelo Castellanos2022-04-05T17:41:09+02:00Tags: Chemistry, Multidisciplinary; Chemistry, Multidisciplinary. , Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Dolezal, Jiri; Canola, Sofia; Merino, Pablo; Svec, Martin Journal: ACS NANO Publication date: 2021/04/27 DOI: 10.1021/acsnano.1c01318 Abstract: Charged optical excitations (trions) generated by charge carrier injection are crucial for emerging optoelectronic technologies as they can be produced and manipulated by electric fields. Trions and neutral excitons can be efficiently induced in single molecules by [...]

Gigahertz Frame Rate Imaging of Charge-Injection Dynamics in a Molecular Light Source

Marcelo Castellanos2022-04-05T17:41:05+02:00Tags: Applied; Physics, Chemistry, Condensed Matter. , Multidisciplinary; Chemistry, Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Roslawska, Anna; Merino, Pablo; Leon, Christopher C.; Grewal, Abhishek; Etzkorn, Markus; Kuhnke, Klaus; Kern, Klaus Journal: NANO LETTERS Publication date: 2021/06/09 DOI: 10.1021/acs.nanolett.1c00328 Abstract: Light sources on the scale of single molecules can be addressed and characterized at their proper sub-nanometer scale by scanning tunneling microscopy-induced luminescence (STML). Such a source can be driven [...]

Atomic-Scale Structural Fluctuations of a Plasmonic Cavity

Marcelo Castellanos2022-04-05T17:40:59+02:00Tags: Applied; Physics, Chemistry, Condensed Matter. , Multidisciplinary; Chemistry, Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Roslawska, Anna; Merino, Pablo; Grewal, Abhishek; Leon, Christopher C.; Kuhnke, Klaus; Kern, Klaus Journal: NANO LETTERS Publication date: 2021/09/08 DOI: 10.1021/acs.nanolett.1c02207 Abstract: Optical spectromicroscopies, which can reach atomic resolution due to plasmonic enhancement, are perturbed by spontaneous intensity modifications. Here, we study such fluctuations in plasmonic electroluminescence at the single-atom limit profiting from the [...]

Origin of the Electron-Phonon Interaction of Topological Semimetal Surfaces Measured with Helium Atom Scattering

Marcelo Castellanos2021-02-12T10:08:12+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Benedek, Giorgio; Miret-Artes, Salvador; Manson, J. R.; Ruckhofer, Adrian; Ernst, Wolfgang E.; Tamtoegl, Anton Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2020/03/05 DOI: 10.1021/acs.jpclett.9b03829 Abstract: He atom scattering has been demonstrated to be a sensitive probe of the electron-phonon interaction parameter lambda at metal and metal-overlayer surfaces. Here it is shown that [...]