Publications: Extended systems: solids, surfaces, liquids. Applications (e.g photovoltaics)


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These papers are ordered by article relevance.

Dynamic spin-filtering at the Co/Alq3 interface mediated by weakly coupled second layer Alq3 molecules
Andrea Droghetti, Philip Thielen, Ivan Rungger, Norman Haag, Nicolas Großmann, Johannes Stöckl, Benjamin Stadtmüller, Martin Aeschlimann, Stefano Sanvito, Mirko Cinchetti
Nature Communications 7, 12668 (2016)
Fundamentals of ultrafast laser–material interaction
Maxim V. Shugaev, Chengping Wu, Oskar Armbruster, Aida Naghilou, Nils Brouwer, Dmitry S. Ivanov, Thibault J.-Y. Derrien, Nadezhda M. Bulgakova, Wolfgang Kautek, Baerbel Rethfeld, Leonid V. Zhigilei
MRS Bulletin 41, 960 - 968 (2016)
Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties
Joshua O. Island, Robert Biele, Mariam Barawi, José M. Clamagirand, José R. Ares, Carlos Sánchez, Herre S.J. van der Zant, Isabel J. Ferrer, Roberto D'Agosta, Andres Castellanos-Gomez
Scientific Reports 6, 22214 (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)
Negative plasmon dispersion in 2H-NbS2 beyond charge-density-wave interpretation
Pierluigi Cudazzo, Eric Múller, Carsten Habenicht, Matteo Gatti, Helmuth Berger, Martin Knupfer,Angel Rubio, Simo Huotari
New Journal Of Physics 18, 103050 (2016)
Bilayer SnS2: Easy-tunable Stacking Sequence by Charging and Loading Pressure
C. Bacaksiz,S. Cahangirov,A. Rubio,R. T. Senger, F. M. Peeters, H. Sahin
Physical Review B 93, 125403 (2016)
Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization
Marco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio,, Matthias Scheffler
Physical Review B 93, 075153 (2016)
Fundamental gap of molecular crystals via constrained Density Functional Theory
Andrea Droghetti, Ivan Rungger, Chaitanya Das Pemmaraju, Stefano Sanvito
Physical Review B 93, 195208 (2016)
Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride
Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Physical Review B 93, 235414 (2016)
Stable Dirac semi-metal in the allotrope of IV elements
Wendong Cao, Peizhe Tang, Shou-Cheng Zhang, Wenhui Duan, Angel Rubio
Physical Review B 93, 241117 (2016)
Correction to “Using G0W0 Level Alignment to Identify Catechol’s Structure on TiO2(110)”
Duncan J. Mowbray, Annapaola Migani
Journal Of Physical Chemistry C 120, 4151 - 4151 (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)
Redox-active radical as an active nanoelectronic component: stability and electrochemical tunnelling spectroscopy in ionic liquids
Alexander V. Rudnev, Carlos Franco, Núria Crivillers, Gonca Seber, Andrea Droghetti, Ivan Rungger, Ilya V. Pobelov, Jaume Veciana, Marta Mas-Torrent, Concepció Rovira
Physical Chemistry Chemical Physics 18, (2016)
Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study
Alexander V. Lebedev, Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
RSC Advances 6, 6423 - 6435 (2016)
Properties of surface plasmon polaritons on lossy materials: lifetimes, periods and excitation conditions
Thibault J.-Y. Derrien, Jörg Krüger, Jörn Bonse
Journal of Optics 18, 115007 (2016)