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Browsing by Author "Popescu, Catalin"

Now showing items 1-20 of 27

A new microporous zeolitic silicoborate (ITQ-52) with interconnected small and medium pores

Simancas Coloma, Raquel; Jorda Moret, Jose Luis; Rey Garcia, Fernando; Corma Canós, Avelino; Cantin Sanz, Angel; Peral, Inmaculada; Popescu, Catalin (American Chemical Society, 2014-03-05)

A new zeolite (named as ITQ-52) having large cavities and small and medium channels has been synthesized. This was achieved by using a new family of amino-phosphonium cations as organic structure directing agents (OSDA). ...
An Ultrahigh CO2-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures

Marqueno, Tomas; Santamaria-Perez, David; Ruiz-Fuertes, Javier; Chulia-Jordan, Raquel; Jorda Moret, Jose Luis; Rey Garcia, Fernando; McGuire, Chris; Kavner, Abby; MacLeod, Simon; Daisenberger, Dominik; Popescu, Catalin; Rodríguez-Hernández, Plácida; Munoz, Alfonso (American Chemical Society, 2018-06-04)

[EN] We report the formation of an ultrahigh CO2-loaded pure-SiO2, silicalite-1 structure at high pressure (0.7 GPa) from the interaction of empty zeolite and fluid CO, medium. The CO2-filled structure was characterized ...
Characterization and Decomposition of the Natural van der Waals SnSb2Te4 under Compression

Sans-Tresserras, Juan Ángel; Vilaplana Cerda, Rosario Isabel; Da Silva, E. Lora; Popescu, Catalin; Cuenca-Gotor, Vanesa Paula; Andrada-Chacón, Adrián; Sánchez-Benitez, Javier; Gomis, O.; Pereira, André L. J.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Daisenberger, Dominik; García-Domene, Braulio; Segura, Alfredo; Errandonea, Daniel; Manjón, Francisco-Javier (American Chemical Society, 2020-07-20)

[EN] High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of the topological electron density and electronic localization function, ...
Crystal structure of sinhalite MgAlBO4 under high pressure

Santamaría Pérez, David; Errandonea, Daniel; Gomis, O.; Sans Tresserras, Juan Ángel; Pereira, A. L. J.; Manjón Herrera, Francisco Javier; Popescu, Catalin; Rodríguez Hernández, Plácida; Muñoz, Alfonso (American Chemical Society, 2015-03-26)

We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa ...
Experimental and Theoretical Study of Bi2O2Se Under Compression

Pereira, A.L.J.; Santamaría Pérez, David; Ruiz Fuertes, Javier; Manjón, Francisco-Javier; Cuenca Gotor, Vanesa Paula; Vilaplana Cerda, Rosario Isabel; Gomis, O.; Popescu, Catalin; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Segura, Alfredo; Gracia, L.; Beltran, A.; Ruleova, P.; Drasar, C.; Sans-Tresserras, Juan Ángel (American Chemical Society, 2018-04-26)

[EN] We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, and electronic properties of the layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement ...
Experimental and theoretical study of dense YBO3 and the influence of non-hydrostaticity.

Turnbull, Robin; Errandonea, Daniel; Cuenca-Gotor, Vanesa Paula; Sans-Tresserras, Juan Ángel; Gomis, O.; Gonzalez, Alfonso; Rodríguez-Hernandez, Placida; Popescu, Catalin; Bettinelli, Marco; Mishra, Karuna K.; Manjón, Francisco-Javier (Elsevier, 2021-01-05)

[EN] YBO3 is used in photonics applications as a host for red phosphors due to its desirable chemical stability, high quantum efficiency and luminescence intensity. Despite its fundamental thermodynamic nature, the isothermal ...
Experimental and Theoretical Study of SbPO4 under Compression

Pereira, André Luis de Jesus; Santamaria-Pérez, David; Vilaplana Cerda, Rosario Isabel; Errandonea, Daniel; Popescu, Catalin; Da Silva, Estelina Lora; Sans-Tresserras, Juan Ángel; Rodríguez-Carvajal, Juan; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Mujica, Andres; Radescu, Silvana Elena; Beltrán, Armando; Otero-de-la-Roza, Alberto; Nalin, Marcelo; Mollar García, Miguel Alfonso; Manjón, Francisco-Javier (American Chemical Society, 2020-01-06)

[EN] SbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and ...
Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph

Errandonea, Daniel; Gomis, O.; Santamaría Pérez, David; García-Domene, B.; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Achary, S. N.; Tyagi, A. K.; Popescu, Catalin (American Institute of Physics (AIP), 2015-03-14)

We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different ...
GdBO3 and YBO3 crystals under compression

Turnbull, Robin; Errandonea, Daniel; Sans-Tresserras, Juan Ángel; Cuenca-Gotor, Vanesa Paula; Vilaplana Cerda, Rosario Isabel; Ibáñez, Jordi; Popescu, Catalin; Szczeszak, Agata; Lis, Stefan; Manjón, Francisco-Javier (Elsevier, 2021-06-15)

[EN] High-pressure X-ray diffraction studies on nanocrystals of the GdBO3 and YBO3 rare-earth orthoborates are herein reported up to 17.4(2) and 13.4(2) GPa respectively. The subsequent determination of the room- temperature ...
High-pressure crystal structure, lattice vibrations, and band structure of BiSbO4

Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Gomis, O.; Achary, S. Nagabhusan; Popescu, Catalin; Patwe, Sadeque J.; Tyagi, Avesh J. (American Chemical Society, 2016-05-16)

The high-pressure crystal structure, lattice-vibrations HP crystal structure, lattice vibrations, and band , and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, ...
Isostructural second-order phase transition of b-Bi2O3 at high pressures: an experimental and theoretical study

Pereira, Andre L. J.; Sans Tresserras, Juan Ángel; Vilaplana Cerda, Rosario Isabel; Gomis, O.; Manjón Herrera, Francisco Javier; Rodriguez-Hernandez, Placida; Muñoz, Alfonso; Popescu, Catalin; Beltran, Armando (American Chemical Society, 2014-10-09)

We report a joint experimental and theoretical study of the structural and vibrational properties of synthetic sphaerobismoite (beta-Bi2O3) at high pressures in which room-temperature angle-dispersive X-ray diffraction ...
Ordered helium trapping and bonding in compressed arsenolite: Synthesis of As4O6 2He

Sans Tresserras, Juan Ángel; Manjón Herrera, Francisco Javier; Popescu, Catalin; Cuenca Gotor, Vanesa Paula; Gomis, Oscar; Muñoz, Alfonso; Rodríguez Hernández, Plácida; Contreras García, Julia; Pellicer Porres, Julio; Pereira, A.L.J.; Santamaría Pérez, David; Segura, Alfredo (American Physical Society, 2016-02)

Compression of arsenolite has been studied from a joint experimental and theoretical point of view. Experiments on this molecular solid at high pressures with different pressure-transmitting media have been interpreted ...
Orpiment under compression: metavalent bonding at high pressure

Cuenca-Gotor, Vanesa Paula; Sans-Tresserras, Juan Ángel; Gomis, O.; Mujica, Andres; Radescu, Silvana; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Da Silva, Estelina Lora; Popescu, Catalin; Ibañez, Jordi; Vilaplana Cerda, Rosario Isabel; Manjón, Francisco-Javier (The Royal Society of Chemistry, 2020-02-14)

[EN] We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide crystals (a-As2S3), aka mineral orpiment, under compression. X-ray ...
Pbca-Type In2O3: the high-pressure post-corundum phase at room temperature

García-Domene, B.; Sans Tresserras, Juan Ángel; Gomis, O.; Manjón Herrera, Francisco Javier; Ortiz, H. M.; Errandonea, Daniel; Santamaría Pérez, David; Martinez-Garcia, D.; Vilaplana Cerda, Rosario Isabel; Pereira, A. L. J.; Morales-Garcia, A.; Rodríguez Hernández, Plácida; Muñoz, Alfonso; Popescu, Catalin; Segura, A. (American Chemical Society, 2014-09-04)

High-pressure powder X-ray diffraction and Raman scattering measurements in cubic bixbyite-type indium oxide (c-In2O3) have been performed at room temperature. On increasing pressure c-In2O3 undergoes a transition to the ...
Phase stability and electronic structure of iridium metal at the megabar range

Monteseguro, V.; Sans-Tresserras, Juan Ángel; Cuartero, V.; Cova, F.; Abrikosov, I.A.; Olovsson, W.; Popescu, Catalin; Pascarelli, S.; Garbarino, G.; Jonsson, H.J.M.; Irifune, T.; ERRANDONEA, DANIEL (Nature Publishing Group, 2019-06-20)

[EN] The 5d transition metals have attracted specific interest for high-pressure studies due to their extraordinary stability and intriguing electronic properties. In particular, iridium metal has been proposed to exhibit ...
Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO3

Errandonea, Daniel; Santamaria-Perez, David; Martinez-Garcia, Domingo; Gomis, O.; Shukla, Rakesh; Achary, S. Nagabhusan; Tyagi, Avesh K.; Popescu, Catalin (American Chemical Society, 2017)

[EN] The effects of high pressure on the crystal structure of orthorhombic (Pnma) perovskite-type cerium scandate were studied in situ under high pressure by means of synchrotron X-ray powder diffraction, using a ...
Pressure-Driven Isostructural Phase Transition in InNbO4: In Situ Experimental and Theoretical Investigations

Garg, Alka B.; Errandonea, Daniel; Popescu, Catalin; Martínez-García, Domingo; Pellicer Porres, Julio; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Botella, Pablo; Cuenca Gotor, Vanesa Paula; Sans-Tresserras, Juan Ángel (American Chemical Society, 2017-05-01)

[EN] The high-pressure behavior of technologically important visible-light photocatalytic semiconductor In.NbO4, adopting a monoclinic wolframite-type structure at ambient conditions, was investigated using synchrotron-based ...
Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4

Errandonea, Daniel; Popescu, Catalin; Garg, A.B.; Botella, P.; Martinez García, D.; Pellicer Porres, J.; Rodríguez Hernández, P.; Muñoz, A.; Cuenca Gotor, Vanesa Paula; Sans Tresserras, Juan Ángel (American Physical Society, 2016-01)

A pressure-induced phase transition, associated with an increase of the coordination number of In and Ta, is detected beyond 13 GPa in InTaO4 by combining synchrotron x-ray diffraction and Raman measurements in a diamond-anvil ...
Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides

IBAÑEZ, JORDI; Sans-Tresserras, Juan Ángel; Cuenca-Gotor, Vanesa Paula; OLIVA, R.; Gomis, O.; Rodríguez-Hernández, Plácida; MUÑOZ, A.; Rodriguez-Mendoza, U.R.; Velazquez, M.; Veber, P.; Popescu, Catalin; Manjón, Francisco-Javier (American Chemical Society, 2020-07-20)

[EN] We report a joint experimental and theoretical investigation of the high pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder X-ray diffraction and Raman scattering measurements show ...
Structural and vibrational properties of CdAl2S4 under high pressure: Experimental and theoretical approach

Sans Tresserras, Juan Ángel; Santamaría Pérez, David; Popescu, Catalin; Gomis, O.; Manjón Herrera, Francisco Javier; Vilaplana Cerda, Rosario Isabel; Muñoz, Alfonso; Rodríguez Hernández, Plácida; Ursaki, Veacheslav; Tiginyanu, Ivan (American Chemical Society, 2014-07-17)

The behavior of defect chalcopyrite CdAl2S4 at high pressures and ambient temperature has been investigated in a joint experimental and theoretical study. High-pressure X-ray diffraction and Raman scattering measurements ...