Jon Mikel Azpiroz
Jon Mikel Azpiroz
Istituto di Scienze e Tecnologie Molecolari - CNR
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Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation
JM Azpiroz, E Mosconi, J Bisquert, F De Angelis
Energy & Environmental Science 8 (7), 2118-2127, 2015
Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water
E Mosconi, JM Azpiroz, F De Angelis
Chemistry of materials 27 (13), 4885-4892, 2015
Epitaxially connected PbSe quantum-dot films: Controlled neck formation and optoelectronic properties
CSS Sandeep, JM Azpiroz, WH Evers, SC Boehme, I Moreels, S Kinge, ...
ACS nano 8 (11), 11499-11511, 2014
Density of trap states and Auger-mediated electron trapping in CdTe quantum-dot solids
SC Boehme, JM Azpiroz, YV Aulin, FC Grozema, D Vanmaekelbergh, ...
Nano Letters 15 (5), 3056-3066, 2015
Benchmark assessment of density functional methods on group II–VI MX (M= Zn, Cd; X= S, Se, Te) quantum dots
JM Azpiroz, JM Ugalde, I Infante
Journal of chemical theory and computation 10 (1), 76-89, 2014
Modeling ZnS and ZnO nanostructures: structural, electronic, and optical properties
JM Azpiroz, E Mosconi, FD Angelis
The Journal of Physical Chemistry C 115 (51), 25219-25226, 2011
A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe) 13 nanocluster
JM Azpiroz, JM Matxain, I Infante, X Lopez, JM Ugalde
Physical Chemistry Chemical Physics 15 (26), 10996-11005, 2013
Ligand induced spectral changes in CdSe quantum dots
JM Azpiroz, F De Angelis
ACS applied materials & interfaces 7 (35), 19736-19745, 2015
A First-Principles Study of II–VI (II= Zn; VI= O, S, Se, Te) Semiconductor Nanostructures
JM Azpiroz, I Infante, X Lopez, JM Ugalde, F De Angelis
Journal of Materials Chemistry 22 (40), 21453-21465, 2012
Permanent excimer superstructures by supramolecular networking of metal quantum clusters
B Santiago-Gonzalez, A Monguzzi, JM Azpiroz, M Prato, S Erratico, ...
Science 353 (6299), 571-575, 2016
A hierarchical algorithm for molecular similarity (H‐FORMS)
A Ramirez‐Manzanares, J Peña, JM Azpiroz, G Merino
Journal of Computational Chemistry 36 (19), 1456-1466, 2015
Modeling surface passivation of ZnS quantum dots
JM Azpiroz, X Lopez, JM Ugalde, I Infante
The Journal of Physical Chemistry C 116 (4), 2740-2750, 2012
First-principles modeling of core/shell quantum dot sensitized solar cells
JM Azpiroz, I Infante, F De Angelis
The Journal of Physical Chemistry C 119 (22), 12739-12748, 2015
Quantum dot photoactivation of Pt (IV) anticancer agents: evidence of an electron transfer mechanism driven by electronic coupling
I Infante, JM Azpiroz, NG Blanco, E Ruggiero, JM Ugalde, ...
The Journal of Physical Chemistry C 118 (16), 8712-8721, 2014
The effect of TiO 2 surface on the electron injection efficiency in PbS quantum dot solar cells: a first-principles study
JM Azpiroz, JM Ugalde, L Etgar, I Infante, F De Angelis
Physical Chemistry Chemical Physics 17 (8), 6076-6086, 2015
DFT/TDDFT Study of the Adsorption of N3 and N719 Dyes on ZnO (101̅0) Surfaces
JM Azpiroz, F De Angelis
The Journal of Physical Chemistry A 118 (31), 5885-5893, 2014
Effect of structural dynamics on the opto-electronic properties of bare and hydrated ZnS QDs
JM Azpiroz, E Mosconi, JM Ugalde, F De Angelis
The Journal of Physical Chemistry C 118 (6), 3274-3284, 2014
Multiple-time-stepping generalized hybrid Monte Carlo methods
B Escribano, E Akhmatskaya, S Reich, JM Azpiroz
Journal of Computational Physics 280, 1-20, 2015
Carbo-cages: a computational study
JM Azpiroz, R Islas, D Moreno, MA Fernández-Herrera, S Pan, ...
The Journal of Organic Chemistry 79 (12), 5463-5470, 2014
Photoinduced Energy Shift in Quantum-Dot-Sensitized TiO2: A First-Principles Analysis
JM Azpiroz, E Ronca, F De Angelis
The journal of physical chemistry letters 6 (8), 1423-1429, 2015
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