Trabajos de Angel Rubio

Chemistry


  Listando 34 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article Correlated electronic phases in twisted bilayer transition metal dichalcogenides Wang, Lei; Shih, En-Min; Ghiotto, Augusto; Xian, Lede; Rhodes, Daniel A.; Tan, Cheng; Claassen, Martin; Kennes, Dante M.; Bai, Yusong; Kim, Bumho; Watanabe, Kenji; Taniguchi, Takashi; Zhu, Xiaoyang; Hone, James; Rubio, Angel; Pasupathy, Abhay N.; Dean, Cor NATURE MATERIALS 1476-1122 (2020) DOI / 10.1038/s41563-020-0708-6
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Article Charge-Transfer Plasmon Polaritons at Graphene/alpha-RuCl3 Interfaces Rizzo, Daniel J.; Jessen, Bjarke S.; Sun, Zhiyuan; Ruta, Francesco L.; Zhang, Jin; Yan, Jia-Qiang; Xian, Lede; McLeod, Alexander S.; Berkowitz, Michael E.; Watanabe, Kenji; Taniguchi, Takashi; Nagler, Stephen E.; Mandrus, David G.; Rubio, Angel; Fogler, Mi NANO LETTERS 1530-6984 (2020) DOI / 10.1021/acs.nanolett.0c03466 Green published, Bronze
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Article Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO2 Nanoparticles Baldini, Edoardo; Palmieri, Tania; Dominguez, Adriel; Ruello, Pascal; Rubio, Angel; Chergui, Majed NANO LETTERS 1530-6984 (2018) DOI / 10.1021/acs.nanolett.8b01837 Green published
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Article High-harmonic generation from spin-polarised defects in solids Mrudul, M. S.; Tancogne-Dejean, Nicolas; Rubio, Angel; Dixit, Gopal NPJ COMPUTATIONAL MATERIALS (2020) DOI / 10.1038/s41524-020-0275-z Gold DOAJ, Green published
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Article Light-Induced Charge Transfer from Transition-Metal-Doped Aluminum Clusters to Carbon Dioxide Goebel, Alexandra; Rubio, Angel; Lischner, Johannes JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2021) DOI / 10.1021/acs.jpca.1c02621 Green submitted
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Article Ultrafast Real-Time Dynamics of CO Oxidation over an Oxide Photocatalyst Wagstaffe, Michael; Wenthaus, Lukas; Dominguez-Castro, Adrian; Chung, Simon; Semione, Guilherme Dalla Lana; Palutke, Steffen; Mercurio, Giuseppe; Dziarzhytski, Siarhei; Redlin, Harald; Klemke, Nicolai; Yang, Yudong; Frauenheim, Thomas; Dominguez, Adriel; K ACS CATALYSIS 2155-5435 (2020) DOI / 10.1021/acscatal.0c04098
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Article Covalent C-N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation Piskun, Ilya; Blackwell, Raymond; Jornet-Somoza, Joaquim; Zhao, Fangzhou; Rubio, Angel; Louie, Steven G.; Fischer, Felix R. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2020) DOI / 10.1021/jacs.9b13507
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Article Out-of-Plane Transport of 1T-TaS2/Graphene-Based van der Waals Heterostructures Boix-Constant, Carla; Manas-Valero, Samuel; Cordoba, Rosa; Baldovi, Jose J.; Rubio, Angel; Coronado, Eugenio ACS NANO 1936-0851 (2021) DOI / 10.1021/acsnano.1c03012 Green submitted, Green published
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Article Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective Khosravi, Elham; Abedi, Ali; Rubio, Angel; Maitra, Neepa T. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2017) DOI / 10.1039/c6cp08539c Green published, Gold other
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Article Intermolecular interactions in optical cavities: An ab initio QED study Haugland, Tor S.; Schaefer, Christian; Ronca, Enrico; Rubio, Angel; Koch, Henrik JOURNAL OF CHEMICAL PHYSICS 0021-9606 (2021) DOI / 10.1063/5.0039256
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Article Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor Xian, Lede; Kennes, Dante M.; Tancogne-Dejean, Nicolas; Altarelli, Massimo; Rubio, Angel NANO LETTERS 1530-6984 (2019) DOI / 10.1021/acs.nanolett.9b00986 Green published, Gold other
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Article Time-Dependent Magnons from First Principles Tancogne-Dejean, N.; Eich, F. G.; Rubio, A. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2020) DOI / 10.1021/acs.jctc.9b01064 Gold other, Green published
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Article Common microscopic origin of the phase transitions in Ta2NiS5 and the excitonic insulator candidate Ta2NiSe5 Windgaetter, Lukas; Rosner, Malte; Mazza, Giacomo; Huebener, Hannes; Georges, Antoine; Millis, Andrew J.; Latini, Simone; Rubio, Angel NPJ COMPUTATIONAL MATERIALS (2021) DOI / 10.1038/s41524-021-00675-6
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Article Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics Albareda, Guillermo; Lively, Kevin; Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021) DOI / 10.1021/acs.jctc.1c00772
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Article Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions Riss, Alexander; Richter, Marcus; Pe'rez Paz, Alejandro; Wang, Xiao-Ye; Raju, Rajesh; He, Yuanqin; Ducke, Jacob; Corral, Eduardo; Wuttke, Michael; Seufert, Knud; Garnica, Manuela; Rubio, Angel; Barth, Johannes V.; Narita, Akimitsu; Muellen, Klaus; Berger, NATURE COMMUNICATIONS (2020) DOI / 10.1038/s41467-020-15210-2 Gold DOAJ, Green published
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Article Toward Confined Carbyne with Tailored Properties Shi, Lei; Senga, Ryosuke; Suenaga, Kazu; Kataura, Hiromichi; Saito, Takeshi; Paz, Alejandro Perez; Rubio, Angel; Ayala, Paola; Pichler, Thomas NANO LETTERS 1530-6984 (2021) DOI / 10.1021/acs.nanolett.0c04482
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Article Engineering Three-Dimensional Moire Flat Bands Xian, Lede; Fischer, Ammon; Claassen, Martin; Zhang, Jin; Rubio, Angel; Kennes, Dante M. NANO LETTERS 1530-6984 (2021) DOI / 10.1021/acs.nanolett.1c01684 Hybrid
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Article Simulating Vibronic Spectra without Born-Oppenheimer Surfaces Lively, Kevin; Albareda, Guillermo; Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2021) DOI / 10.1021/acs.jpclett.1c00073 Green published, Green submitted, Hybrid
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Article Propagators for the Time-Dependent Kohn-Sham Equations: Multistep, Runge-Kutta, Exponential Runge-Kutta, and Commutator Free Magnus Methods Gomez Pueyo, Adrian; Marques, Miguel A. L.; Rubio, Angel; Castro, Alberto JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2018) DOI / 10.1021/acs.jctc.8b00197 Green published, Bronze
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Article Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation Ducke, Jacob; Riss, Alexander; Perez Paz, Alejandro; Seufert, Knud; Schwarz, Martin; Garnica, Manuela; Rubio, Angel; Auwaerter, Willi ACS NANO 1936-0851 (2018) DOI / 10.1021/acsnano.7b08887
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Article Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation Leret, Sofia; Pouillon, Yann; Casado, Santiago; Navio, Cristina; Rubio, Angel; Perez, Emilio M. CHEMICAL SCIENCE 2041-6520 (2017) DOI / 10.1039/c6sc03894h Green published, Green submitted, Gold
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Article Transient Charge and Energy Flow in the Wide-Band Limit Covito, F.; Eich, F. G.; Tuovinen, R.; Sentef, M. A.; Rubio, A. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2018) DOI / 10.1021/acs.jctc.8b00077 Gold other, Green published
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Article Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor Xian, Lede; Kennes, Dante M.; Tancogne-Dejean, Nicolas; Altarelli, Massimo; Rubio, Angel NANO LETTERS 1530-6984 (2019) DOI / 10.1021/acs.nanolett.9b00986 Green published, Gold other
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Article Dynamical amplification of electric polarization through nonlinear phononics in 2D SnTe Shin, Dongbin; Sato, Shunsuke A.; Hubener, Hannes; De Giovannini, Umberto; Park, Noejung; Rubio, Angel NPJ COMPUTATIONAL MATERIALS (2020) DOI / 10.1038/s41524-020-00449-6 Green published, Gold other
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Article Survival of Floquet-Bloch States in the Presence of Scattering Aeschlimann, Sven; Sato, Shunsuke A.; Krause, Razvan; Chavez-Cervantes, Mariana; De Giovannini, Umberto; Huebener, Hannes; Forti, Stiven; Coletti, Camilla; Hanff, Kerstin; Rossnagel, Kai; Rubio, Angel; Gierz, Isabella NANO LETTERS 1530-6984 (2021) DOI / 10.1021/acs.nanolett.1c00801 Green submitted, Green published, Hybrid
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Article Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation Sidler, Dominik; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2020) DOI / 10.1021/acs.jpclett.0c01556 Green published, Gold other
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Article Effect of many modes on self-polarization and photochemical suppression in cavities Hoffmann, Norah M.; Lacombe, Lionel; Rubio, Angel; Maitra, Neepa T. JOURNAL OF CHEMICAL PHYSICS 0021-9606 (2020) DOI / 10.1063/5.0012723
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Article A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems De Giovannini, Umberto; Hubener, Hannes; Rubio, Angel JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2017) DOI / 10.1021/acs.jctc.6b00897
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Article Orbital magneto-optical response of periodic insulators from first principles Lebedeva, Irina V.; Strubbe, David A.; Tokatly, Ilya V.; Rubio, Angel NPJ COMPUTATIONAL MATERIALS (2019) DOI / 10.1038/s41524-019-0170-7 Gold DOAJ, Green published
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Article Hydrated Alkali Atoms on Copper(111): A Density Functional Theory Study Paz, Alejandro Perez; Rubio, Angel JOURNAL OF PHYSICAL CHEMISTRY C 1932-7447 (2021) DOI / 10.1021/acs.jpcc.0c10061
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Article Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems Flick, Johannes; Appel, Heiko; Ruggenthaler, Michael; Rubio, Angel JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 (2017) DOI / 10.1021/acs.jctc.6b01126 Green published, Gold other
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Article Room Temperature Terahertz Electroabsorption Modulation by Excitons in Monolayer Transition Metal Dichalcogenides Shi, Jiaojian; Baldini, Edoardo; Latini, Simone; Sato, Shunsuke A.; Zhang, Yaqing; Pein, Brandt C.; Shen, Pin-Chun; Kong, Jing; Rubio, Angel; Gedik, Nuh; Nelson, Keith A. NANO LETTERS 1530-6984 (2020) DOI / 10.1021/acs.nanolett.0c01134 Green submitted
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Article TDDFT-Based Study on the Proton-DNA Collision Seraide, Rodrigo; Bernal, Mario A.; Brunetto, Gustavo; De Giovannini, Umberto; Rubio, Angel JOURNAL OF PHYSICAL CHEMISTRY B 1520-6106 (2017) DOI / 10.1021/acs.jpcb.7b04934
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Article Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation Duncan, D. A.; Aguilar, P. Casado; Paszkiewicz, M.; Diller, K.; Bondino, F.; Magnano, E.; Klappenberger, F.; Pis, I.; Rubio, A.; Barth, J. V.; Perez Paz, A.; Allegretti, F. JOURNAL OF CHEMICAL PHYSICS 0021-9606 (2019) DOI / 10.1063/1.5084027 Green published

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