Publications: POCAONTAS. Polymer / Carbon Nanotubes Active Systems

Years

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These papers are ordered by article influence.

Confined linear carbon chains as a route to bulk carbyne
L. Shi, P. Rohringer, K. Suenaga, Y. Niimi, J. Kotakoski, J.C. Meyer, H. Peterlik, M. Wanko, S. Cahangirov, A. Rubio, Z.J. Lapin, L. Novotny, P. Ayala, T. Pichler
Nature Materials 15, 634 - 639 (2016)
Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110)
Duncan John Mowbray, Annapaola Migani
Journal Of Chemical Theory And Computation 12, 2843 - 2852 (2016)
Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
Duncan J. Mowbray,Alejandro Pérez Paz, Georgina Ruiz-Soria, Markus Sauer, Paolo Lacovig, Matteo Dalmiglio, Silvano Lizzit, Kazuhiro Yanagi, Andrea Goldoni, Thomas Pichler, Paola Ayala, Angel Rubio
Journal Of Physical Chemistry C 120 (32), pp 18316–18322 (2016)
Theoretical Insight into the Internal Quantum Efficiencies of Polymer/C60 and Polymer/SWNT Photovoltaic Devices
Livia Noemi Glanzmann, Duncan John Mowbray
Journal Of Physical Chemistry C 120, 6336 - 6343 (2016)
Photoinduced Absorption within Single-Walled Carbon Nanotube Systems
Livia Noemi Glanzmann, Duncan John Mowbray, Diana Gisell Figueroa del Valle, Francesco Scotognella, Guglielmo Lanzani, Angel Rubio
Journal Of Physical Chemistry C 120, 1926 - 1935 (2015)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015)
Revealing the adsorption mechanisms of nitroxides on ultra-pure, metallicity-sorted carbon nanotubes
Georgina Ruiz-Soria, Alejandro Pérez Paz, Markus Sauer, Duncan J. Mowbray, Paolo Lacovig, Matteo Dalmiglio, Silvano Lizzit, Kazuhiro Yanagi, Angel Rubio, Andrea Goldoni, Paola Ayala, Thomas Pichler
ACS Nano 8, 1375 - 1383 (2014)
PFO-BPy Solubilizers for SWNTs: Modelling Polymers from Oligomers
Livia Noemi Glanzmann, Duncan J. Mowbray, Angel Rubio
Physica Status Solidi B 251, 2407 - 2412 (2014)
Gas Sensing and Thermal Transport Through Carbon-Nanotube-Based Nanodevices
Pouillon, Yann, Pérez Paz, Alejandro, Mäklin, Jani, Halonen, Niina, Leroy, Yann, Mowbray, Duncan, García Lastra, Juan María, Tóth, Géza, Kónya, Zoltán, Kukovecz, Ákos, Rubio, Ángel
Springer Netherlands Vol. 16, p. 99 - 136 (2014)
On the Effect of a Single Solvent Molecule on the Charge-Transfer Band of a Donor–Acceptor Anion
J. Houmøller, M. Wanko, K. Støchkel, A. Rubio, S.B. Nielsen
Journal Of The American Chemical Society 135, 6818 - 6821 (2013)
Loss spectroscopy of molecular solids: combining experiment and theory
Friedrich Roth, Pierluigi Cudazzo, Benjamin Mahns, Matteo Gatti, Johannes Bauer, Silke Hampel, Markus Nohr, Alexander Schubert, Helmuth Berger, Martin Knupfer, Angel Rubio
New Journal Of Physics 15, 125024 (2013)
Self-consistent GW: an all-electron implementation with localized basis functions
Fabio Caruso, Patrick Rinke, Xinguo Ren, Angel Rubio,, Matthias Scheffler
Physical Review B 88, 075105 (2013)