Jorge Simancas
@inam.uji.es
Institute of Advanced Materials
RESEARCH, TEACHING, or OTHER INTERESTS
Industrial and Manufacturing Engineering, Renewable Energy, Sustainability and the Environment, Electronic, Optical and Magnetic Materials, Colloid and Surface Chemistry
Scopus Publications
Scopus Publications
Sergio Galve-Lahoz, Jesús Sánchez-Diaz, Carlos Echeverría-Arrondo, Jorge Simancas, Jhonatan Rodriguez-Pereira, Silver-Hamill Turren-Cruz, Juan P. Martinez-Pastor, Iván Mora-Seró, and Juan Luis Delgado
Royal Society of Chemistry (RSC)
In this work we designed and synthesized two new organic additives with different functional groups to evaluate their impact on the performance and stability of tin halide perovskite solar cells.
Joaquin Martinez-Ortigosa, Reisel Millán, Jorge Simancas, Manuel Hernández-Rodríguez, J. Alejandro Vidal-Moya, Jose L. Jordá, Charlotte Martineau-Corcos, Vincent Sarou-Kanian, Mercedes Boronat, Teresa Blasco,et al.
Royal Society of Chemistry (RSC)
Two distinct RTH phases are formed through the bonding of fluoride to different silicon sites and this is controlled by adjusting the synthesis conditions.
Ileana Recalde, Andrés. F. Gualdrón‐Reyes, Carlos Echeverría‐Arrondo, Alexis Villanueva‐Antolí, Jorge Simancas, Jhonatan Rodriguez‐Pereira, Marcileia Zanatta, Iván Mora‐Seró, and Victor Sans
Wiley
AbstractThe use of non‐toxic and low‐cost vitamins like α‐tocopherol (α‐TCP, vitamin E) to improve the photophysical properties and stability of perovskite nanocrystals (PNCs), through post‐synthetic ligand surface passivation, is demonstrated for the first time. Especially interesting is its effect on CsPbI3 the most unstable inorganic PNC. Adding α‐TCP produces that the photoluminescence quantum yield (PLQY) of freshly prepared and aged PNCs achieves values of ≈98% and 100%, respectively. After storing 2 months under ambient air and 60% relative humidity, PLQY is maintained at 85% and 67%, respectively. α‐TCP restores the PL features of aged CsPbI3 PNCs, and mediates the radiative recombination channels by reducing surface defects. In addition, the combination of α‐TCP and PNCs facilitates the chemical formulation to prepare PNCs‐acrylic polymer composites processable by additive manufacturing. This enables the development of complex shaped parts with improved luminescent features and long‐term stability for 4 months, which is not possible for non‐modified PNCs. A PLQY ≈92% is reached in the 3D printed polymer/PNC composite, the highest value obtained for a red‐emitting composite solid until now as far as it is known. The passivation shell provided by α‐TCP makes that PNCs inks do not suffer any degradation process avoiding the contact with the environment and preserve their properties after reacting with polar monomers during composite polymerization.
Joaquin Martinez-Ortigosa, Jorge Simancas, Jose A. Vidal-Moya, Fernando Rey, Susana Valencia, and Teresa Blasco
MDPI AG
The nature of organic structure directing agents (OSDAs) is of paramount importance in the final properties of zeolites, particularly the framework and porosity. Recently, the use of P-containing OSDAs has been employed for new zeolites, but there is little discussion compared to their analogues N-OSDAs. The main objective of this work is the characterization of pure silica MFI zeolite (silicalite-1) prepared by the dual-template route with tetrapropylammonium (TPA), tetrapropylphosphonium (TPP) cations, and mixtures thereof aiming to understand by advanced NMR methods how the nature of the organic influences the physico-chemical properties of the zeolite. Silicalite-1 has been successfully synthesized using the dual-template procedure with TPA and TPP molecules. Both OSDAs are incorporated into the zeolite without any specific preference, differently to that observed before for the TEA/TEP system, and homogenously mixed inside of the zeolite voids. The presence of TPP leads to the incorporation of less F, raising the concentration of Q3-defective sites in the silicalite-1 zeolites. Detailed NMR results indicate that those structural defects are close to the –CH3 group of the entrapped OSDAs in the zeolite and these defects consist of at least two silanol groups stabilizing the Si-O- species, which is responsible for the charge balancing.
Sara Sáez‐Ferre, Christian W. Lopes, Jorge Simancas, Alejandro Vidal‐Moya, Teresa Blasco, Giovanni Agostini, Guillermo Mínguez Espallargas, Jose L. Jordá, Fernando Rey, and Pascual Oña‐Burgos
Wiley
AbstractExpanding the previously known family of ‐onium (ammonium, phosphonium, and sulfonium) organic structure‐directing agents (OSDAs) for the synthesis of zeolite MFI, a new member, the arsonium cation, is used for the first time. The new group of tetraalkylarsonium cations has allowed the synthesis of the zeolite ZSM‐5 with several different chemical compositions, opening a route for the synthesis of zeolites with a new series of OSDA. Moreover, the use of As replacing N in the OSDA allows the introduction of probe atoms that facilitate the study of these molecules by powder X‐ray diffraction (PXRD), solid‐state nuclear magnetic resonance (MAS NMR), and X‐ray absorption spectroscopy (XAS). Finally, the influence of trivalent elements such as B, Al, or Ga isomorphically replacing Si atoms in the framework structure and its interaction with the As species has been studied. The suitability of the tetraalkylarsonium cation for carrying out the crystallization of zeolites is demonstrated along with the benefit of the presence of As atoms in the occluded OSDA, which allows its advanced characterization as well as the study of its evolution during OSDA removal by thermal treatments.
Joaquin Martinez-Ortigosa, Jorge Simancas, J. Alejandro Vidal-Moya, Philippe Gaveau, Fernando Rey, Bruno Alonso, and Teresa Blasco
American Chemical Society (ACS)
Highly crystalline pure silica MFI zeolites have been synthesized using tetraethylammonium (TEA), tetraethylphosphonium (TEP), or a mixture of both cations in different proportions as organic structure directing agents (OSDAs). The zeolites have been deeply characterized in order to get insight about the guest–guest interactions involving the OSDAs and the guest–host interactions involving the OSDAs and the inorganic framework, as well as the main features of the resulting materials. The results show that the average size of the MFI crystals decreases when TEP is present within the zeolite and that this cation is homogeneously distributed throughout the crystallites. The multinuclear NMR investigation (1H, 13C, 14N, 19F, 29Si, 31P) indicates that TEP interacts with the zeolite host creating higher heterogeneity of the SiO4 crystallographic sites and a diminution on the mobility of fluorine atoms incorporated into the zeolite. Moreover, the presence of TEP influences the dynamics of the nitrogen atoms of t...
Lindiane Bieseki, Raquel Simancas, Jose L. Jordá, Pablo J. Bereciartua, Ángel Cantín, Jorge Simancas, Sibele B. Pergher, Susana Valencia, Fernando Rey, and Avelino Corma
Royal Society of Chemistry (RSC)
A new multipore zeolite of 12–8 × 8 × 8 channel system, named ITQ-62, has been synthesized and its structure solved using electron diffraction tomography.
Fernando Rey and Jorge Simancas
Springer International Publishing
Jorge Simancas, Raquel Simancas, Pablo J. Bereciartua, Jose L. Jorda, Fernando Rey, Avelino Corma, Stavros Nicolopoulos, Partha Pratim Das, Mauro Gemmi, and Enrico Mugnaioli
American Chemical Society (ACS)
In this work a new ultrafast data collection strategy for electron diffraction tomography is presented that allows reducing data acquisition time by one order of magnitude. This methodology minimizes the radiation damage of beam-sensitive materials, such as microporous materials. This method, combined with the precession of the electron beam, provides high quality data enabling the determination of very complex structures. Most importantly, the implementation of this new electron diffraction methodology is easily affordable in any modern electron microscope. As a proof of concept, we have solved a new highly complex zeolitic structure named ITQ-58, with a very low symmetry (triclinic) and a large unit cell volume (1874.6 Å3), containing 16 silicon and 32 oxygen atoms in its asymmetric unit, which would be very difficult to solve with the state of the art techniques.
Tetiana Lemishko, Jorge Simancas, Manuel Hernández-Rodríguez, Mónica Jiménez-Ruiz, German Sastre, and Fernando Rey
Royal Society of Chemistry (RSC)
INS experiments and DFT calculations allow identifying rotational constraints of organic molecules occluded in zeolite micropores.