Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Estelina Lora Da Silva"'
Autor:
Estelina Lora da Silva, Mario C. Santos, Plácida Rodríguez-Hernández, Alfonso Muñoz, Francisco Javier Manjón
Publikováno v:
Crystals, Vol 13, Iss 3, p 498 (2023)
We report an ab initio study of Sb2S3, Sb2Se3, and Bi2S3 sesquichalcogenides at hydrostatic pressures of up to 60 GPa. We explore the possibility that the C2/m, C2/c, the disordered Im-3m, and the I4/mmm phases observed in sesquichalcogenides with he
Externí odkaz:
https://doaj.org/article/52566292e2a44eee9511a25d473c2606
Autor:
Thomas Smith, Samuel Moxon, David J. Cooke, Lisa J. Gillie, Robert M. Harker, Mark T. Storr, Estelina Lora da Silva, Marco Molinari
Publikováno v:
Crystals, Vol 12, Iss 10, p 1499 (2022)
The presence of cubic PuH2 and PuH3, the products of hydrogen corrosion of Pu, during long-term storage is of concern because of the materials’ pyrophoricity and ability to catalyse the oxidation reaction of Pu to form PuO2. Here, we modelled cubic
Externí odkaz:
https://doaj.org/article/9a940b7ac1c64119b95b3e0133d0ba7a
Autor:
Estelina Lora da Silva, Adeleh Mokhles Gerami, P. Neenu Lekshmi, Michel L. Marcondes, Lucy V. C. Assali, Helena M. Petrilli, Joao Guilherme Correia, Armandina M. L. Lopes, João P. Araújo
Publikováno v:
Nanomaterials, Vol 11, Iss 4, p 897 (2021)
We present an ab-initio study performed in the framework of density functional theory, group-subgroup symmetry analysis and lattice dynamics, to probe the octahedral distortions, which occur during the structural phase transitions of the quasi-2D lay
Externí odkaz:
https://doaj.org/article/a4801716a74d4ed1becbb865195e86b4
Autor:
Enrico Bandiello, Samuel Gallego-Parra, Akun Liang, Juan Ángel Sans, Vanesa Cuenca-Gotor, Estelina Lora da Silva, Rosario Vilaplana, Placida Rodriguez-Hernandez, Alfonso Munoz, Daniel Diaz-Anichtchenko, Catalin Popescu, Frederico Alabarse, Carlos Rudamas, Cestmir Drasar, Alfredo Segura, Daniel Errandonea, Francisco Javier Manjon
GaGeTe is a layered topological semimetal that has been recently found to exist in at least two different polytypes, $\alpha$-GaGeTe ($R\bar{3}m$) and $\beta$-GaGeTe ($P6_3 mc$). Here we report a joint experimental and theoretical study of the struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fe30ba39576eac1baa8bd255ebd2d7b
http://arxiv.org/abs/2305.02707
http://arxiv.org/abs/2305.02707
Autor:
Alfonso Munoz, Placida Rodríguez-Hernandez, Mario Jorge Cesar dos Santos, Estelina Lora Da Silva, Francisco Javier Manjon
Publikováno v:
Crystals; Volume 13; Issue 3; Pages: 498
We report an ab initio study of Sb2S3, Sb2Se3, and Bi2S3 sesquichalcogenides at hydrostatic pressures of up to 60 GPa. We explore the possibility that the C2/m, C2/c, the disordered Im-3m, and the I4/mmm phases observed in sesquichalcogenides with he
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87ba4f847a087264d37a7575f5c910f5
https://doi.org/10.3390/cryst13030498
https://doi.org/10.3390/cryst13030498
Autor:
Catalin Popescu, Oscar Gomis, Francisco Javier Manjón, Andrés Mujica, Juan Angel Sans, Jordi Ibáñez, Plácida Rodríguez-Hernández, Alfonso Muñoz, Vanesa P. Cuenca-Gotor, Estelina Lora da Silva, S. Radescu, Rosario Vilaplana
Publikováno v:
Physical Chemistry Chemical Physics
Digital.CSIC. Repositorio Institucional del CSIC
instname
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
Digital.CSIC. Repositorio Institucional del CSIC
instname
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide crystals (α-As2S3), aka mineral orpiment, under compression. X-ray diffraction and Raman scattering
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a296ddb5086bde98f2630c5b2a8c076
https://doi.org/10.1039/c9cp06298j
https://doi.org/10.1039/c9cp06298j
Autor:
Enrico, Bandiello, Catalin, Popescu, Estelina Lora, da Silva, Juan Ángel, Sans, Daniel, Errandonea, Marco, Bettinelli
Publikováno v:
Inorganic chemistry. 59(24)
In the pursuit of a systematic characterization of rare-earth vanadates under compression, in this work we present a multifaceted study of the phase behavior of zircon-type orthovanadate PrVO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::03b65030a0a4d6b1c6bdf43759673a47
https://pubmed.ncbi.nlm.nih.gov/33291884
https://pubmed.ncbi.nlm.nih.gov/33291884
Autor:
Marco Bettinelli, Enrico Bandiello, Daniel Errandonea, Juan Angel Sans, Catalin Popescu, Estelina Lora da Silva
In pursue of a systematic characterization of rare-earth vanadates under compression, in this work we present a multifaceted study of the phase behavior of zircon-type orthovanadate PrVO$_4$ under high pressure conditions, up until 24 GPa. We have fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f3cddcc232b5e90c553814483280347
http://arxiv.org/abs/2006.01299
http://arxiv.org/abs/2006.01299
Autor:
Tao Yang, Lionel Maurizi, Sandra Galmarini, Mario Jorge Cesar dos Santos, Marco Molinari, David J. Cooke, Estelina Lora da Silva
Publikováno v:
Computational Techniques for Analytical Chemistry and Bioanalysis
Computational Techniques for Analytical Chemistry and Bioanalysis, pp.287-334, 2020, ⟨10.1039/9781788015882-00287⟩
Computational Techniques for Analytical Chemistry and Bioanalysis ISBN: 9781788014618
Computational Techniques for Analytical Chemistry and Bioanalysis, pp.287-334, 2020, ⟨10.1039/9781788015882-00287⟩
Computational Techniques for Analytical Chemistry and Bioanalysis ISBN: 9781788014618
We present an overview of computational analytical methodologies and protocols applied to materials analysis, and their surfaces and interfaces with the surrounding environments. As we discuss the current advances and limitations of in-silico measure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8107fb5e41a2369c10a39f9992d45876
https://hal.archives-ouvertes.fr/hal-03276186/document
https://hal.archives-ouvertes.fr/hal-03276186/document
Autor:
André Luis de Jesus, Pereira, David, Santamaría-Pérez, Rosário, Vilaplana, Daniel, Errandonea, Catalin, Popescu, Estelina Lora, da Silva, Juan Angel, Sans, Juan, Rodríguez-Carvajal, Alfonso, Muñoz, Plácida, Rodríguez-Hernández, Andres, Mujica, Silvana Elena, Radescu, Armando, Beltrán, Alberto, Otero-de-la-Roza, Marcelo, Nalin, Miguel, Mollar, Francisco Javier, Manjón
Publikováno v:
Inorganic chemistry. 59(1)
SbPO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::286339d016d0323ccfffe0a3523f7631
https://pubmed.ncbi.nlm.nih.gov/31876414
https://pubmed.ncbi.nlm.nih.gov/31876414