| Coumarin derivatives for dye sensitized solar cells: a TD-DFT study R Sánchez-de-Armas, MA San Miguel, J Oviedo, JF Sanz Physical Chemistry Chemical Physics 14 (1), 225-233, 2012 | 203 | 2012 |
| Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters R Sánchez-de-Armas, J Oviedo Lopez, M A. San-Miguel, JF Sanz, ... Journal of Chemical Theory and Computation 6 (9), 2856-2865, 2010 | 173 | 2010 |
| Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells R Sánchez-de-Armas, J Oviedo, MA San Miguel, JF Sanz The Journal of Physical Chemistry C 115 (22), 11293-11301, 2011 | 131 | 2011 |
| Methanol Adsorption and Dissociation on TiO2(110) from First Principles Calculations RS De Armas, J Oviedo, MA San Miguel, JF Sanz The Journal of Physical Chemistry C 111 (27), 10023-10028, 2007 | 118 | 2007 |
| Electronic structure and optical spectra of catechol on TiO 2 nanoparticles from real time TD-DFT simulations R Sánchez-de-Armas, MA San-Miguel, J Oviedo, A Márquez, JF Sanz Physical Chemistry Chemical Physics 13 (4), 1506-1514, 2011 | 108 | 2011 |
| Methanol and Water Dissociation on TiO2 (110): The Role of Surface Oxygen J Oviedo, R Sánchez-de-Armas, MA San Miguel, JF Sanz The Journal of Physical Chemistry C 112 (46), 17737-17740, 2008 | 96 | 2008 |
| Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin R Sánchez-de-Armas, MA San-Miguel, J Oviedo, JF Sanz Computational and Theoretical Chemistry 975 (1-3), 99-105, 2011 | 49 | 2011 |
| Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules J Villalva, A Develioglu, N Montenegro-Pohlhammer, ... Nature communications 12 (1), 1578, 2021 | 40 | 2021 |
| Molecular modification of coumarin dyes for more efficient dye sensitized solar cells R Sánchez-de-Armas, MA San-Miguel, J Oviedo, JF Sanz The Journal of chemical physics 136 (19), 05B615, 2012 | 39 | 2012 |
| One Site Is Enough: A Theoretical Investigation of Iron‐Catalyzed Dehydrogenation of Formic Acid R Sánchez‐de‐Armas, L Xue, MSG Ahlquist Chemistry–A European Journal 19 (36), 11869-11873, 2013 | 35 | 2013 |
| Improving olefin purification using metal organic frameworks with open metal sites A Luna-Triguero, JM Vicent-Luna, A Poursaeidesfahani, TJH Vlugt, ... ACS applied materials & interfaces 10 (19), 16911-16917, 2018 | 29 | 2018 |
| π-Complexation for olefin/paraffin separation using aluminosilicates A Luna-Triguero, A Sławek, R Sánchez-de-Armas, JJ Gutiérrez-Sevillano, ... Chemical Engineering Journal 380, 122482, 2020 | 28 | 2020 |
| Bicarbonate hydrogenation catalyzed by iron: how the choice of solvent can reverse the reaction R Marcos, L Xue, R Sanchez-de-Armas, MSG Ahlquist ACS Catalysis 6 (5), 2923-2929, 2016 | 27 | 2016 |
| On the nature of hydrogen bonds to platinum (II)–which interaction can predict their strength? R Sánchez-de-Armas, MSG Ahlquist Physical Chemistry Chemical Physics 17 (2), 812-816, 2015 | 23 | 2015 |
| Exploiting the π-bonding for the separation of benzene and cyclohexane in zeolites C González-Galán, A Luna-Triguero, JM Vicent-Luna, AP Zaderenko, ... Chemical Engineering Journal 398, 125678, 2020 | 16 | 2020 |
| Real-Time Study of CVD Growth of Silicon Oxide on Rutile TiO2(110) Using Tetraethyl Orthosilicate S Chaudhary, AR Head, R Sanchez-de-Armas, H Tissot, G Olivieri, ... The Journal of Physical Chemistry C 119 (33), 19149-19161, 2015 | 12 | 2015 |
| On the electronic structure of Cu chlorophyllin and its breakdown products: a carbon K-Edge X-ray absorption spectroscopy study K Witte, I Mantouvalou, R Sánchez-de-Armas, H Lokstein, ... The Journal of Physical Chemistry B 122 (6), 1846-1851, 2018 | 11 | 2018 |
| Coverage and charge dependent adsorption of butanethiol on the Au (1 1 1) surface: A density functional theory study R Nadler, R Sánchez-de-Armas, JF Sanz Computational and Theoretical Chemistry 975 (1-3), 116-121, 2011 | 11 | 2011 |
| Deposition of the Spin Crossover FeII–Pyrazolylborate Complex on Au(111) Surface at the Molecular Level N Montenegro‐Pohlhammer, R Sánchez‐de‐Armas, CJ Calzado Chemistry–A European Journal 27 (2), 712-723, 2021 | 9 | 2021 |
| Transient sub-nanosecond soft x-ray NEXAFS spectroscopy on organic thin films A Jonas, K Dammer, H Stiel, B Kanngiesser, R Sánchez-de-Armas, ... Analytical Chemistry 92 (23), 15611-15615, 2020 | 7 | 2020 |
Javier Fdez. SanzFull Professor, University of SevilleVerified email at us.es
