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https://riquim.fq.edu.uy/files/original/56007b4ef19e638fd46e3900d266cf10.pdf
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Title
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Bibliografía Nacional Química
Description
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Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
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Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<strong>Theoretical investigation of various aspects of two dimensional holey boroxine, B3O3</strong>
Subject
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BERILIO
BORO
PROPIEDADES ELECTRICAS
PROPIEDADES ELECTRONICAS
PROPIEDADES OPTICA
INVESTIGACION TEORICA
BIBLIOGRAFIA NACIONAL QUIMICA
2019
Abstract
A summary of the resource.
By means of first-principles calculations, we study the structural, electronic and mechanical properties of the newly synthesized boron–oxygen holey framework (Chem. Comm. 2018, 54, 3971). It has a planar structure formed by B3O3 hexagons, which are joined via strong covalent boron–boron bonds. The six B3O3 units are connected with six-fold symmetry exhibiting a large hole with a surface area of 23 Å2, which is ideal for the adsorption of alkalis. For neutral alkalis, we found that the adsorption energy of potassium is 14 and 12 kcal mol−1 larger than those determined for sodium and lithium, respectively. In contrast, for alkali cations, there is a clear preference for lithium over sodium and potassium. With regard to its electronic properties, it is an insulator with an electronic band gap of 5.3 eV, at the HSE level of theory. We further investigate the effect of strain on the band gap and find it a less efficient technique to tune the electronic properties. The wide optical gap of B3O3 can be utilized in ultraviolet (UV) applications, such as UV photodetectors, etc. Additionally, the 2D elastic modulus of B3O3 (53.9 N m−1) is larger than that of Be3N2, silicene, and germanene. Besides, we also report bilayer and graphite-like bulk B3O3 and furthermore, find that the optoelectronic properties of the bilayer can be tuned with an external electric field. The great tunability of optical properties from UV to the visible range offers a vast range of applications in optoelectronics.
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<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&cad=rja&uact=8&ved=2ahUKEwjAzt352r_mAhUBErkGHSG_ALIQFjAAegQIBBAG&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fcv%2F%3F5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea&usg=AOvVaw1-3bMhJ1paRert553HzPBB" target="_self"><strong>Denis, Pablo A.</strong></a>
<strong>Ullah, Saif<br /></strong>
<strong>Sato, Fernando</strong>
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RSC Advances v. 9, no. 64, 2019. -- p. 37526-37536
Publisher
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Royal Society of Chemistry
Date
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2019
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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)</p>
<p><strong>ADVERTENCIA -</strong> 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</p>
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DOI:10.1039/C9RA07338H
Berilio
Boro
Investigaciones teóricas
Propiedades electricas
Propiedades electrónicas
Propiedades ópticas
-
https://riquim.fq.edu.uy/files/original/c8c6f62cf03ade995c1f891e24293c9f.pdf
00856400ed20b3ff9ad90ff1d68f3dcc
https://riquim.fq.edu.uy/files/original/e68928f04ca84775d2b340548a1acdb5.bmp
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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.
Dublin Core
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Title
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<strong>Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes</strong>
Subject
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INVESTIGACIONES TEORICAS
FORMACION DE COMPLEJOS
SISTEMAS CONJUGADOS
BIBLIOGRAFIA NACIONAL QUIMICA
2011
Abstract
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Herein, we perform a M06-2X/6-311G investigation of the homo and mixed dimers formed between corannulene, sumanene, and pentaindenocorannulene; also, their complexes with C60 and C70 were studied. Despite the lower area of sumanene, the interaction of the sumanene-dimer is stronger that of the corannulene- dimer because of CH–p interactions. For mixed-dimers, when the concave and convex sides perfectly match the interactions are similar to those of the homodimers. However, when the concave area is larger than the convex one, CH–p interactions become important and perfect stacking is lost. The interaction between pentaindenocorannulene-C60 is twice that of corannulene-C60, and DG298 = �10.8 kcal/ mol. Thus, pentaindenocorannulene is a better choice to catch C60
Creator
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<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>
Source
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Chemical Physics Letters v. 516, no. 1-3, 2011. -- p. 82-87
Publisher
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Elsevier
Date
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2011
Rights
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<p> </p>
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> 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</p>
<p>(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)</p>
<p><strong>ADVERTENCIA</strong> - 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.</p>
<p> </p>
<p> </p>
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PDF
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doi:10.1016/j.cplett.2011.09.058
Formación de complejos
Investigaciones teóricas
Sistemas conjugados