Ximena Zarate
Ximena Zarate
Universidad Autónoma de Chile, Instituto de Ciencias Químicas Aplicadas
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Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells
MB Oviedo, X Zarate, CFA Negre, E Schott, R Arratia-Pérez, CG Sánchez
The journal of physical chemistry letters 3 (18), 2548-2555, 2012
582012
Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO2 Interface
K Hu, KCD Robson, EE Beauvilliers, E Schott, X Zarate, R Arratia-Perez, ...
Journal of the American Chemical Society 136 (3), 1034-1046, 2014
562014
Theoretical study of sensitizer candidates for dye-sensitized solar cells: peripheral substituted dizinc pyrazinoporphyrazine–phthalocyanine complexes
X Zarate, E Schott, T Gomez, R Arratia-Pérez
The Journal of Physical Chemistry A 117 (2), 430-438, 2013
532013
Revisiting the racemization mechanism of helicenes
J Barroso, JL Cabellos, S Pan, F Murillo, X Zarate, MA Fernandez-Herrera, ...
Chemical Communications 54 (2), 188-191, 2018
412018
The nature of the donor motif in acceptor-bridge-donor dyes as an influence in the electron photo-injection mechanism in DSSCs
X Zarate, S Schott-Verdugo, A Rodriguez-Serrano, E Schott
The Journal of Physical Chemistry A 120 (9), 1613-1624, 2016
352016
Imaging the ultrafast photoelectron transfer process in Alizarin-TiO2
T Gomez, G Hermann, X Zarate, JF Pérez-Torres, JC Tremblay
Molecules 20 (8), 13830-13853, 2015
242015
Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4, 6-di-tert-butylphenol in the rhenium (I) core
A Carreño, M Gacitua, E Schott, X Zarate, JM Manriquez, M Preite, ...
New Journal of Chemistry 39 (7), 5725-5734, 2015
202015
Improvement of the photocatalytic activity of TiO2 using Colombian Caribbean species (Syzygium cumini) as natural sensitizers: experimental and theoretical studies
C Diaz-Uribe, W Vallejo, K Campos, W Solano, J Andrade, ...
Dyes and Pigments 150, 370-376, 2018
182018
Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2] rotaxanes
G Gholami, K Zhu, G Baggi, E Schott, X Zarate, SJ Loeb
Chemical science 8 (11), 7718-7723, 2017
172017
A DFT/TDDFT study of porphyrazines and phthalocyanine oxo‐titanium derivatives as potential dyes in solar cells
X Zarate, E Schott, R Arratia‐Pérez
International Journal of Quantum Chemistry 111 (15), 4186-4196, 2011
172011
Stable NCNgNSi (Ng= Kr, Xe, Rn) Compounds with Covalently Bound C‐Ng‐N Unit: Possible Isomerization of NCNSi through the Release of the Noble Gas Atom
S Pan, G Jana, E Ravell, X Zarate, E Osorio, G Merino, PK Chattaraj
Chemistry–A European Journal 24 (12), 2879-2887, 2018
162018
Noble gas encapsulated B 40 cage
S Pan, M Ghara, S Kar, X Zarate, G Merino, PK Chattaraj
Physical Chemistry Chemical Physics 20 (3), 1953-1963, 2018
162018
Synthesis, characterization and computational studies of (E)-2-{[(2-aminopyridin-3-yl) imino]-methyl}-4, 6-di-tert-butylphenol
A Carreño, A Vega, X Zarate, E Schott, M Gacitúa, N Valenzuela, M Preite, ...
Química Nova 37 (4), 584-588, 2014
162014
Understanding the Selective-Sensing Mechanism of Al3+ Cation by a Chemical Sensor Based on Schiff Base: A Theoretical Approach
MA Treto-Suárez, Y Hidalgo-Rosa, E Schott, X Zarate, D Páez-Hernández
The Journal of Physical Chemistry A 123 (32), 6970-6977, 2019
152019
Effects of the acceptor unit in dyes with acceptor–bridge–donor architecture on the electron photo-injection mechanism and aggregation in DSSCs
X Zarate, F Claveria-Cadiz, D Arias-Olivares, A Rodriguez-Serrano, ...
Physical Chemistry Chemical Physics 18 (35), 24239-24251, 2016
152016
Role of the main adsorption modes in the interaction of the dye [COOH–TPP-Zn (ii)] on a periodic TiO 2 slab exposing a rutile (110) surface in a dye-sentized solar cell
T Gomez, X Zarate, E Schott, R Arratia-Perez
RSC Advances 4 (19), 9639-9646, 2014
142014
Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications
T Gomez, F Jaramillo, E Schott, R Arratia-Pérez, X Zarate
Solar Energy 142, 215-223, 2017
132017
Synthesis, characterization and DFT study of a new family of pyrazole derivatives
R Faundez-Gutierrez, D Macleod-Carey, X Zarate, C Bustos, E Molins, ...
Polyhedron 81, 414-420, 2014
132014
Substituents effects on two related families of dyes for dye sensitized solar cells:[Ru (4, 4′-R, R-2, 2′-bpy) 3] 2+ and [Ru (4, 4′-COOH-2, 2′-bpy)(4, 4′-R, R-2, 2′-bpy …
E Schott, X Zarate, R Arratia-Perez
The Journal of Physical Chemistry A 116 (27), 7436-7442, 2012
122012
A family of octahedral molybdenum cluster complexes [Mo6Cl8 (H2O) n (OH) 6− n] n− 2 with n= 0–6 as a pH-sensors: A theoretical study
X Zarate, E Schott, L Alvarado-Soto, R Ramirez-Tagle
Chemical Physics Letters 567, 39-42, 2013
112013
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