1 25 4 https://riquim.fq.edu.uy/files/original/0c42da0b8b755baa6e881c4484f1999a.pdf c845c1000b6329c094a98acfecd6b7ea https://riquim.fq.edu.uy/files/original/9f58d0cbf21df0179c51fcba691ae9d3.jpg 5ddc72784839073c077a1b4b0c47b993 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 194 Width 145 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource A novel and promising Penta-Octa-Based silicon carbide semiconductor Subject The topic of the resource MATERIALES 2D GRAFENO CARBURO DE SILICIO MATERIALES SEMICONDUCTORES BIBLIOGRAFIA NACIONAL QUIMICA 2024 Abstract A summary of the resource. Penta-octa-graphene (POG) consists of pentagonal and octagonal carbon rings, hosting type-I and type-II Dirac line nodes due to its sp2 and sp3 mixed bonds. Inorganic analogs of 2D carbon lattices have increased the potential applications and changed the main properties of carbon-based structures. Therefore, this work proposes penta-octa-graphene based on silicon carbide using DFT simulations. With a cohesive energy of Creator An entity primarily responsible for making the resource Laranjeira, José A.S. Martins, Nicolas F. Denis, Pablo A. Sambrano, Julio R. Source A related resource from which the described resource is derived FlatChemv. 46, 2024. -- e100691 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2024 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 9 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.1016/j.flatc.2024.100691 Carburo de silicio (SiC) Grafeno Materiales 2D Materiales semiconductores https://riquim.fq.edu.uy/files/original/e99b022dab1930ad2873870ab185c989.pdf c845c1000b6329c094a98acfecd6b7ea https://riquim.fq.edu.uy/files/original/9648440fed874fa38a814ebc5196eb35.jpg 8134a5b9497ec61ac693661390b1dac5 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 155 Width 116 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Novel buckled graphenylene-like InN and its strain engineering effects Subject The topic of the resource GRAFENILENO MATERIALES 2D TEORIA FUNCIONAL DE LA DENSIDAD BIBLIOGRAFIA NACIONAL QUIMICA 2024 Abstract A summary of the resource. This paper reveals the structural, electronic and mechanical properties of a novel inorganic graphenylene based on indium nitride (IGP-InN). The IGP-InN was characterized via density functional theory (DFT) simulations. The phonon dispersion shows the dynamic stability of IGP-InN, and molecular dynamics simulations confirm its thermal stability up to 700 K. Besides the electronic properties, the indirect band gap transition with energy (Egap) of 2.49 eV makes IGP-InN suitable for optoelectronic applications under UV–visible. Also, the Egap tunability with mechanical strain was analyzed, with a decrease of 1.19 eV in the Egap for tensile strains. The structural buckling plays an important role, with a transition to a planar structure for tensile strains. This work reveals a new class of 2D materials, buckled inorganic graphenylenes, and provides valuable insights into designing and optimizing graphenylene-like materials. Creator An entity primarily responsible for making the resource Laranjeira, Jose A.S. Silva, Jeronimo F. Denis, Pablo A. Maia, Ary S. Sambrano, Julio R. Source A related resource from which the described resource is derived Computational and Theoretical Chemistry v.1231, 2024. -- e114418 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2024 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 9 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.1016/j.comptc.2023.114418 Grafenileno Materiales 2D Teoría funcional de la densidad https://riquim.fq.edu.uy/files/original/a2930ff30291ed564a1cc8532e75e967.pdf c845c1000b6329c094a98acfecd6b7ea https://riquim.fq.edu.uy/files/original/77d3d4b87900b15fc6c88d088fbe68a7.jpg 58ed31c611b1a367a914ee20a7e768fc Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 155 Width 117 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Chemical reactivity of graphene doped with 3d transition metals: nothing compares to a single vacancy Subject The topic of the resource GRAFENO MATERIALES 2D DOPAJE CATALISIS REACTIVIDAD QUIMICA BIBLIOGRAFIA NACIONAL QUIMICA 2024 Abstract A summary of the resource. Context: Finding catalysts that do not rely on the use of expensive metals is one of the requirements to achieve sustainable production. The reactivity of graphene doped with 3d transition metals was studied. All dopants enhanced the reactivity of graphene and performed better than Stone–Wales defects and divacancies, but were inferior to monovacancies. For hydrogenation of doped-monovacancies, Sc, Ti, Cr, Co, and Ni induced more prominent reactivity on the carbon atoms. However, the metals were the most reactive center for V, Mn, and Fe-doped graphene. Cu and Zn turned the four neighboring carbon atoms into the preferred sites for hydrogenation. The addition of oxygen to doped graphene with Ti, V, Cr, Mn, Fe, Co, and Ni on a monovacancy revealed a more uniform pattern since the metal, preferred to react with oxygen. However, Sc induced a larger reactivity on the carbon atoms. The affinity of the 3d metal-doped graphene systems towards oxygen was inferior to that observed for single-vacancies. Therefore, vacancy engineering is the most favorable and least expensive method to enhance the reactivity of graphene. Methods: We applied Truhlar’s M06-L method accompanied by the 6-31G* basis sets to perform periodic boundary conditions calculations as implemented in Gaussian 09. The ultrafine grid was employed and the unit cells were sampled employing 100 k-points. Results were visualized employing Gaussview 5.0.1. Creator An entity primarily responsible for making the resource Denis, Pablo A. Source A related resource from which the described resource is derived Journal of Molecular Modeling v. 30, n°4, 2024. Publisher An entity responsible for making the resource available Springer Date A point or period of time associated with an event in the lifecycle of the resource 2024 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 10 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.1007/s00894-024-05893-5 Catálisis Dopaje Grafeno Materiales 2D Reactividad química https://riquim.fq.edu.uy/files/original/80112c683afedba51a9b262a914365d6.pdf c845c1000b6329c094a98acfecd6b7ea https://riquim.fq.edu.uy/files/original/d136439090881666a18261f6fc347c47.jpg b77d333e414cfe53bb4ea3447d7dd5f5 Omeka Image File The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files. Bit Depth 8 Channels 3 Height 155 Width 115 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Bibliografía Nacional Química Description An account of the resource Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha. Contributor An entity responsible for making contributions to the resource Departamento de Documentación y Biblioteca RIQUIM Document A resource containing textual data. Note that facsimiles or images of texts are still of the genre text. Original Format If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data PDF Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Helicene adsorption on graphene, hexagonal boron nitride, graphane, and fluorographane Subject The topic of the resource GRAFENO MATERIALES 2D QUIMICA ORGANICA TEORIA FUNCIONAL DE LA DENSIDAD BIBLIOGRAFIA NACIONAL QUIMICA 2022 Abstract A summary of the resource. Herein, we investigated the adsorption of helicenes over graphene, boron nitride, graphane, and fluorographane utilizing density functional calculations. Our results indicated that helicenes experience significant structural distortions when adsorbed on the title monolayer. The strong interaction with the surfaces can partially over come the steric repulsions of helicenes. Although the characteristics of the surfaces considered are very different, the adsorption energies computed for graphene, BN, and graphane are comparable. However, over fluo rographane, they were slightly weaker. In the case of bilayer graphene, helicene[4], and helicene[5], when intercalated, their height can be reduced up to 0.3 and 0.4 Å, respectively. Creator An entity primarily responsible for making the resource <a href="https://export.cvuy.uy/cv/?5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea" target="_blank">Denis, Pablo A.</a> Source A related resource from which the described resource is derived Chemical Physics Letters, v. 806, v.2022. -- e139998 Publisher An entity responsible for making the resource available Elsevier Date A point or period of time associated with an event in the lifecycle of the resource 2022 Rights Information about rights held in and over the resource Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006) ADVERTENCIA - La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora. Format The file format, physical medium, or dimensions of the resource PDF Extent The size or duration of the resource. 8 p. Language A language of the resource Inglés Type The nature or genre of the resource Artículo Identifier An unambiguous reference to the resource within a given context 10.1016/j.cplett.2022.139998 Grafeno Materiales 2D Química orgánica Teoría funcional de la densidad