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                <text>&lt;p dir="ltr"&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
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&lt;p dir="ltr"&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derechode autor&lt;/strong&gt;&lt;span&gt;&amp;nbsp;sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n 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)&lt;/span&gt;&lt;/p&gt;&#13;
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
&lt;p&gt;(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)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>Despite being the subject of intensive research, tuberculosis, caused by &lt;em&gt;Mycobacterium tuberculosis&lt;/em&gt;, remains at present the leading cause of death from an infectious agent. Secreted and cell wall proteins interact with the host and play important roles in pathogenicity. These proteins are explored as candidate diagnostic markers, potential drug targets or vaccine antigens, and more recently special attention is being given to the role of their post-translational modifications. With the purpose of contributing to the proteomic and glycoproteomic characterization of this important pathogen, we performed a shotgun analysis of culture filtrate proteins of &lt;em&gt;M&lt;/em&gt;. &lt;em&gt;tuberculosis&lt;/em&gt; based on a liquid nano-HPLC tandem mass spectrometry and a label-free spectral counting normalization approach for protein quantification. We identified 1314 &lt;em&gt;M&lt;/em&gt;. &lt;em&gt;tuberculosis&lt;/em&gt; proteins in culture filtrate and found that the most abundant proteins belong to the extracellular region or cell wall compartment, and that the functional categories with higher protein abundance factor were virulence, detoxification and adaptation, and cell wall and cell processes. We could identify a group of proteins consistently detected in previous studies, most of which were highly abundant proteins. In culture filtrate, 140 proteins were predicted to contain one of the three types of bacterial N-terminal signal peptides. Besides, various proteins belonging to the ESX secretion systems, and to the PE and PPE families, secreted by the type VII secretion system using nonclassical secretion signals, were also identified. O-glycosylation was identified in 46 proteins, many of them lipoproteins and cell wall associated proteins. Finally, we provide proteomic evidence for 33 novel O-glycosylated proteins, aiding to the glycoproteomic characterization of relevant antigenic membrane and exported proteins. These findings are expected to collaborate with the research on pathogen derived biomarkers, virulence factors and vaccine candidates, and to provide clues to the understanding of the pathogenesis and survival strategies adopted by &lt;em&gt;M&lt;/em&gt;. &lt;em&gt;tuberculosis&lt;/em&gt;.</text>
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                <text>&lt;p&gt;Bi2S3 is a promising solid lubricant for demanding applications, such as oil extraction, heavy mining, and aerospace components. However, its tribological behavior has not been studied in depth. Burnished Bi2S3 soft coatings were evaluated utilizing reciprocating sliding tests under different levels of relative humidity level, normal load, and sliding speed and the results were benchmarked against MoS2 coatings. In addition, ab initio calculations using density functional theory modeling were employed for studying the interaction between the sulfides and the steel substrates and the effect of water intercalation at an atomic level. It was found that Bi2S3 coatings present excellent environmental adaptability and substrate protection over a wide range of testing conditions, thanks to their characteristic crystal structure.&lt;/p&gt;</text>
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&lt;p&gt;&lt;strong&gt; La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n 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)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n 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)&lt;/p&gt;&#13;
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                <text>&lt;strong&gt;The role of interstitial native defects in the topological insulator Bi2Se3&lt;/strong&gt;</text>
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                <text>Bi2Se3 is a prominent narrow gap semiconductor with a rhombohedral crystal structure and potential applications in thermoelectric and spintronic technologies. Its electrical conduction is ruled by native point defects inducing an n-type degenerate behavior. Here, we present a first principles study of the point defects in Bi2Se3, focusing on the relevance of the interstitial sites. A density functional methodology was employed with van der Waals correction and spin&amp;ndash;orbit coupling in order to achieve a better description of the defects. The results indicate that interstitial Bi atoms in octahedral sites between two consecutive quintuple layers have a lower formation energy than selenium vacancies and that these interstitials could act as a possible source of free electron carriers. In addition, we show that the utilization of an experimental or strained lattice constant in the calculations may lead to an under- or overestimation of the defect formation energies.</text>
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                <text>&lt;strong&gt;Tumelero, Milton A&lt;/strong&gt;</text>
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                <text>&lt;a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fc7cd71892b1a9968ee19230dafdbd01" target="_blank"&gt;&lt;strong&gt;Faccio, Ricardo&lt;/strong&gt;&lt;/a&gt;</text>
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                <text>Journal of Physics: Condensed Matter&amp;nbsp; v. 28, no. 42, 2016. -- 5p. -- e425801</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                  <text>Versiones electrónicas de las tesis de doctorado, maestría y trabajos de diploma de la Facultad de Química, Universidad de la República (UdelaR).&#13;
Incluye únicamente trabajos hasta el año 2023. Los trabajos posteriores se encuentran disponibles en el Repositorio Colibrí.</text>
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                <text>El ácido sulfénico, formado por proteínas tras la oxidación del tiol de una cisteína ha sido implicado en procesos de estrés oxidativo, señalización celular y catálisis redox.</text>
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                <text>&lt;p&gt;&lt;strong&gt;&lt;em&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/em&gt;&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
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&lt;p&gt;&lt;strong&gt; ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
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                <text>The human genome contains 25 genes coding for selenocysteine-containing proteins (selenoproteins). These proteins are involved in a variety of functions, most notably redox homeostasis. Selenoprotein enzymes with known functions are designated according to these functions: TXNRD1, TXNRD2, and TXNRD3 (thioredoxin reductases), GPX1, GPX2, GPX3, GPX4, and GPX6 (glutathione peroxidases), DIO1, DIO2, and DIO3 (iodothyronine deiodinases), MSRB1 (methionine sulfoxide reductase B1), and SEPHS2 (selenophosphate synthetase 2). Selenoproteins without known functions have traditionally been denoted by SEL or SEP symbols. However, these symbols are sometimes ambiguous and conflict with the approved nomenclature for several other genes. Therefore, there is a need to implement a rational and coherent nomenclature system for selenoprotein-encoding genes. Our solution is to use the root symbol SELENO followed by a letter. This nomenclature applies to SELENOF (selenoprotein F, the 15-kDa selenoprotein, SEP15), SELENOH (selenoprotein H, SELH, C11orf31), SELENOI (selenoprotein I, SELI, EPT1), SELENOK (selenoprotein K, SELK), SELENOM (selenoprotein M, SELM), SELENON (selenoprotein N, SEPN1, SELN), SELENOO (selenoprotein O, SELO), SELENOP (selenoprotein P, SeP, SEPP1, SELP), SELENOS (selenoprotein S, SELS, SEPS1, VIMP), SELENOT (selenoprotein T, SELT), SELENOV (selenoprotein V, SELV), and SELENOW (selenoprotein W, SELW, SEPW1). This system, approved by the HUGO Gene Nomenclature Committee, also resolves conflicting, missing, and ambiguous designations for selenoprotein genes and is applicable to selenoproteins across vertebrates.</text>
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                <text>&lt;strong&gt;Lobanov, A.V.&lt;/strong&gt;</text>
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                <text>&lt;strong&gt;Prabhu, K.S.&lt;/strong&gt;</text>
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                <text>&lt;strong&gt;Rayman, M.P.&lt;/strong&gt;</text>
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                <text>&lt;strong&gt;Rozovsky, S.&lt;/strong&gt;</text>
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                <text>&lt;strong&gt;Schmidt, E.E.&lt;/strong&gt;</text>
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                <text>&lt;strong&gt;Zhang, Y.&lt;/strong&gt;</text>
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                <text>Journal of Biological Chemistry v. 291, no. 46, 2016. -- p. 24036-24040</text>
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                <text>American Society for Biochemistry and Molecular Biology</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt; La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n 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)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt; ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>Las investigaciones desarrolladas en la d&amp;eacute;cada del '70 en el Sur de Brasil dirigidas por E.Miller propusieron la asociaci&amp;oacute;n entre material cultural y restos de megafauna. Estas evidencias &amp;ldquo;paleoind&amp;iacute;genas&amp;rdquo; fueron ubicadas, estratigr&amp;aacute;ficamente, en la Fm.Touro Passo por debajo de un &amp;ldquo;estratotipo&amp;rdquo; constitu&amp;iacute;do principalmente por un nivel de tefras. Esta unidad fue correlacionada con la Fm. Sopas del Norte del Uruguay. Se presenta y analiza un conjunto de dataciones (14C) de la Fm. Sopas y su consistencia con la informaci&amp;oacute;n bioestatigr&amp;aacute;fica y paleoclim&amp;aacute;tica inferida del registro paleontol&amp;oacute;gico. Se estudia adem&amp;aacute;s, la ubicaci&amp;oacute;n, caracterizaci&amp;oacute;n-dataci&amp;oacute;n de cenizas volc&amp;aacute;nicas, referentes litoestatigr&amp;aacute;ficos y geocronol&amp;oacute;gicos regionales, para el Pleistoceno tard&amp;iacute;o y Holoceno.</text>
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&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>CuInSe2 polycrystalline thin films were potentiostatically electrodeposited on titanium and conducting glass substrates from an aqueous solution containing CuCl2, InCl3, SeO2 in a glycine acid medium, pH around 2 adjusted with HCl. The effect of adding EDTA as a complexing agent was also studied. These films were then submitted to different post-deposition treatments: annealing at temperatures up to about 400&amp;deg;C in an Ar flowing stream, chemical etching in a 0.5 M KCN solution and in some cases room temperature air oxidation. The as-grown and treated layers were characterized by X-ray energy dispersive analysis, X-ray diffraction, scanning electron microscopy and photoelectrochemical studies. Annealing improves the crystallinity of electrodeposited films and the effective grain size increased, resulting in the formation of CuInSe2 chalcopyrite structure. Photoelectrochemical measurements of the films revealed p-type behaviour, and better photoresponse was observed for the films obtained from EDTA based solutions. Room temperature air oxidation of the CuInSe2 films improves the photocurrent response.</text>
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                <text>&lt;strong&gt;Ugarte, R&lt;/strong&gt;</text>
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                <text>Thin Solid Films v. 340, no. 1-2, 1999. -- p. 117-124</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
&lt;p&gt;(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)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>First-principles density functional theory (DFT) calculations were performed to investigate the lithium (Li) adsorption upon beryllium (Be) doped graphene. Be acts as hole doping in graphene leaving the structure as electron deficient, offering a greater tendency for Li adsorption than in pristine and boron (B) doped graphene. The introduction of Be augments the adsorption energy of Li from &amp;minus;1.11 to &amp;minus;2.53 eV/Li. Furthermore, 12, and 16 Li ions can easily be captured by one Be center in the single and double vacancy case, respectively, with the adsorption energies of &amp;minus;1.33 eV/Li (for both the cases), showing that Be doped graphene is an excellent anode material for lithium ion batteries (LIBs). Consequently, the presence of structural defects, in particular, a divacancy is found to be more efficient in terms of Li storage capacity. A huge Li storage capacity (2303.295 mAh/g) is calculated for Li8BeC7 having reasonable adsorption energy (&amp;minus;1.47 eV/Li). Our calculated capacity is 6.19 times greater than that of the graphite.</text>
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                <text>The structure, stability, electronic properties and chemical reactivity of X/B/N triple‐doped graphene (TDG) systems (X=Al, Si, P, S) are investigated by means of periodic density functional calculations. In the studied TDGs the dopant atoms prefer to be bonded to one another instead of separated. In general, the XNB pattern is preferred, with the exception of sulfur, which favors the SBN motif. The introduction of a third dopant results in a negligible decrease of the cohesive energies with respect to the dual‐doped graphene (DDG) counterparts. Thus, it is expect that these systems can be prepared soon. For SiNB TDG, the introduction of the B dopant reduces the gap opening at the K point and restores the Dirac cones that are destroyed in SiN DDG. On the contrary, for PNB TDG, the bandgap is increased with respect to PN DDG, probably because the introduction of B weakens the PN bonding, and thus the electronic structure is rather similar to that of P‐doped graphene. Finally, with regard to the reactivity of the TDGs, for AlNB, PNB, and SNB the carbon atoms are more reactive than in their AlN, PN, and SN DDG counterparts. On the contrary, the reactivity of SiNB is lower than that of SiN DDG. Therefore, to increase the reactivity of graphene, Al, P, and S should be combined with BN motifs</text>
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                <text>Two-dimensional materials as electrodes have significant potential in energy storage and conversion and can address the issues related to battery technologies. Accordingly, first-principles calculations were executed to search for the best possible anode material for Li/Na ion batteries. Three families of dual-doped graphene (DDG) including Be&amp;ndash;B, BeN, and BeO were studied because it is easier to synthesize DDG instead of its mono-doped counterpart. Among them, Be&amp;ndash;B DDG was found to be the most promising since it can cause a massive increase in the adsorption of Li (2.33 eV, by 3.1 times) and Na (2.24 eV, by 4.3 times) at the vdW-DF/DZP level of theory. The integration of these ions caused the structures to become metallic, resulting in good electronic conductivity, which is essential for anode materials. Furthermore, Be&amp;ndash;B DDG exhibited an average open circuit voltage of 2.34 V (1.3* V) and 1.82 V (1.02* V) for Li and Na, respectively, when the energy of the isolated gas-phase (* represents the energy of one atom taken from the bulk) is used for Li and Na. This modest average open circuit voltage of 1.3* V for Li is in the range of that of the most commonly used graphite-Li (0.11 V) and TiO2-Li (1.5&amp;ndash;1.8 V). Moreover, the negligible percentage change in the plane of Be&amp;ndash;B DDG during the intercalation of Li/Na ensured good cyclic stability. Additionally, the exceptional storage capacities of 2334 mA h g&amp;minus;1 for Li and 1012 mA h g&amp;minus;1 for Na with an open circuit voltage of 0.23* V and 0.25* V, respectively, shows that Be&amp;ndash;B DDG has potential as a remarkable anode material for LIBs and SIBs.</text>
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                <text>New Journal of Chemistry v. 42, no. 13, 2018. -- &amp;nbsp; &amp;nbsp; &amp;nbsp; &amp;nbsp;&amp;nbsp; p. 10842-10851</text>
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>&lt;strong&gt;Non-trivial band gaps and charge transfer in Janus-like functionalized bilayer boron arsenide&lt;/strong&gt;</text>
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                <text>Herein, we predict the stability, structural and electronic properties of Janus-like boron arsenide (BAs) bilayer with the help of DFT calculations. We combine one hydrogenated and one fluorinated BAs layers in different stacking and arrangements. The interlayer charge transfer is also calculated and discussed with the help of various charge population mechanism. In addition to this, the choice of basis set is critical in determining the interlayer distances and consequently, the energy gaps. Additionally, the layer-resolved PDOS, at vdW-DF level, revealed that these bilayers are type-II semiconductors as the valence and conduction bands are composed of different layers. Furthermore, the band gap of these bilayers can efficiently be engineered from 0 to 0.54 eV by controlling the arrangement of the layers. That being said, the electronic properties can optionally be tuned from semiconducting to semimetallic. Additionally, the shape of the conduction band minima and the heavy-, light-hole bands provides the opportunity of utilization of these bilayers in ultrafast nanoelectronics.</text>
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                <text>Computational Materials Science v. 170, 2019. -- p. 1-7.--e109186</text>
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre&lt;/p&gt;</text>
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                <text>Herein, we perform DFT calculations to study the stability and the electronic and optical properties of pristine and hybrid bilayers of hexagonal boron phosphide (h-BP) and hexagonal boron arsenide (h-BAs). The electronic and optical properties of all bilayers can be modulated by the introduction of an external perpendicular electric field. Consequently, band gaps can be tuned from 0.8 eV down to zero as the field increases up to a critical value. Above this value, the gap reopens as the valence and conduction bands exhibit an anticrossing with a &amp;ldquo;Mexican-hat&amp;rdquo; shape, in a similar fashion to biased graphene bilayers. For the optical properties, we report an intense peak in the absorption spectra around 2.5&amp;ndash;2.6 eV, with a slight blueshift as a function of electric field. Above the critical field, a new peak is observed in the infrared region which exhibits a strong field dependence. Additionally, this peak is related to the optical transitions around the &amp;ldquo;Mexican-hat&amp;rdquo; region of the band structure and the corresponding electron-hole pair shows a layer separation, which may lead to larger recombination times, a critical factor in photovoltaics. We believe that, with such tunable properties, these bilayers can find interesting applications in future devices in nanoelectronics and optoelectronics.</text>
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                <text>Applied Surface Science v.493, 2019.--p. 308&amp;ndash;319</text>
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&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n 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)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt; ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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