{"id":33,"date":"2019-05-24T15:38:58","date_gmt":"2019-05-24T18:38:58","guid":{"rendered":"https:\/\/www.ufsm.br\/template-laboratprio\/?page_id=33"},"modified":"2020-01-02T09:30:54","modified_gmt":"2020-01-02T12:30:54","slug":"producao-cientifica","status":"publish","type":"page","link":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/producao-cientifica","title":{"rendered":"Produ\u00e7\u00e3o Cient\u00edfica"},"content":{"rendered":"\t\t
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<\/p>\n

Teses e disserta\u00e7\u00f5es<\/span><\/h5>\n
Alexandre Castro<\/span><\/em><\/div>\n
\n

Mestrado (1999): C\u00e1lculo da varia\u00e7\u00e3o da constante de acoplamento do YBa2<\/span>Cu3<\/span>O7<\/span>\u00a0com a press\u00e3o.<\/p>\n

Ana Claudia Kipper<\/span><\/em><\/p>\n

Mestrado (2013): An\u00e1lise das Propriedades Din\u00e2micas e Estrutural da \u00c1gua Confinada entre Placas Hidrof\u00f3bicas.<\/p>\n

Andressa da Cunha Bevilacqua<\/span><\/em><\/p>\n

Mestrado (2014): Estudo te\u00f3rico de defeitos em nanotubo de BN.
<\/em><\/span><\/p>\n

Bruno de Oliveira Vendrusculo<\/span><\/em><\/p>\n

Mestrado (2012): Estudo de din\u00e2mica molecular da transi\u00e7\u00e3o de fase estrutural de nanotubos de carbono sob press\u00e3o hidrost\u00e1tica.<\/p>\n

Carla Adriane Ramos Segatto<\/span><\/em><\/p>\n

Mestrado (2013): Estudo Computacional da Difus\u00e3o de \u00c1gua em Nanotubos de Carbono Induzida por Gradiente de Press\u00e3o.<\/p>\n

Carmem Magela de Almeida Granada<\/span><\/em><\/p>\n

Mestrado (1999): Transfer\u00eancia de carga em compostos Heusler.<\/p>\n

Doutorado (2005): O Efeito de Impurezas de Transi\u00e7\u00e3o em Borocarbetos e Antiperoviskitas.<\/p>\n

Caroline Jaskulski Rupp<\/span><\/em><\/p>\n

Mestrado (2011): Estudo Te\u00f3rico da Intera\u00e7\u00e3o de Oxig\u00eanio com Nanotubos de BC2<\/span>N.<\/p>\n

Doutorado (2015): SISTEMA BIDIMENSIONAIS FORMADOS POR SIL\u00cdCIO E GERM\u00c2NIO: UM ESTUDO DE PRIMEIROS PRINC\u00cdPIOS.<\/p>\n

Cibeli Marzari Bertagnolli<\/span><\/em><\/p>\n

Mestrado (2004): Estudo te\u00f3rico do comportamento magn\u00e9tico Y0.8<\/span>Gd0.2<\/span>Co3<\/span>.<\/p>\n

Cl\u00e1udia Lange dos Santos<\/span><\/em><\/p>\n

Mestrado (2007): Estudo do par\u00e2metro de ordem e do momento magn\u00e9tico em borocarbetos pseudoquatern\u00e1rios.<\/p>\n

Doutorado (2011): Estudo de primeiros princ\u00edpios em nanofios de Arseneto de \u00edndio e Fosfeto de \u00edndio.<\/p>\n

Daniela Schittler<\/span><\/em><\/p>\n

Mestrado (2004): Estudo das Propriedades de Estruturas do tipo Perovsquita (R-NiO3<\/span>).<\/p>\n

Eduardo Fuzer Rosso
<\/span><\/em><\/p>\n

Mestrado (2010):\u00a0Estudo te\u00f3rico de antiss\u00edtios e impureza substitucional de oxig\u00eanio em Nanofio de SiC<\/a>.<\/p>\n

Doutorado (2014):\u00a0Estudo de Primeiros Princ\u00edpios da Estabilidade e Funcionaliza\u00e7\u00e3o da Superf\u00edcie e Nanofitas de Carbeto de Sil\u00edcio.<\/a><\/p>\n

Ernesto Osvaldo Wrasse<\/span><\/em><\/p>\n

Mestrado (2009): Estudo de Primeiros Princ\u00edpios de Defeitos Nativos em Mon\u00f3xido de Ber\u00edlio.<\/p>\n

Doutorado (2013): Estudo Te\u00f3rico das Propriedades Estruturais, Eletr\u00f4nicas e Termoel\u00e9tricas de nanofios de PbSe e PbTe.<\/p>\n

Ivana Zanella da Silva<\/span><\/em><\/p>\n

Mestrado (2002): Investiga\u00e7\u00e3o da Intera\u00e7\u00e3o da Mol\u00e9cula de Oxig\u00eanio com um Nanotubo de Carbono.<\/p>\n

Ivi Valentini Lara<\/span><\/em><\/p>\n

Doutorado (2014): Simula\u00e7\u00e3o\u00a0Ab Initio<\/em>\u00a0de Nanotubos de Carbono Funcionalizados via Adsor\u00e7\u00e3o e Deforma\u00e7\u00e3o Estrutural.<\/p>\n

Jeferson Coutinho<\/span><\/em><\/p>\n

Mestrado (2009): Estudo das Propriedades Eletr\u00f4nicas e Estruturais em Nanotubos de Fosfeto de \u00cdndio.<\/p>\n

Jonas Anversa<\/span><\/em><\/p>\n

Mestrado (2010): Estudo Te\u00f3rico da Influ\u00eancia de um Meio Solvente na Intera\u00e7\u00e3o de Amino\u00e1cidos com um Nanotubo de Carbono.<\/p>\n

Doutorado (2014): C\u00e1lculos de Primeiros Princ\u00edpios em Isolantes Topol\u00f3gicos: HgTe\/CdTe.<\/p>\n

Jos\u00e9 Carlos Cechin<\/span><\/em><\/p>\n

Mestrado (2006): Transi\u00e7\u00e3o metal-isolante em fulleritos dopados com metais alcalinos.<\/p>\n

Jussane Rossato<\/span><\/p>\n

Mestrado (2004): Estudo da Forma\u00e7\u00e3o de Vac\u00e2ncia Induzida em Nanotubos de Carbono.<\/p>\n

Doutorado (2009): Estabilidade e Propriedades Eletr\u00f4nicas em Nanotubos de BC2<\/span>N.<\/p>\n

Leandro Ant\u00f4nio Thesing<\/span><\/p>\n

Mestrado (2007): Estudo das Propriedades Eletr\u00f4nicas e Estruturais da Heterojun\u00e7\u00e3o dos Nanotubos de BN-AlN.<\/p>\n

Leandro Barros da Silva<\/span><\/em><\/p>\n

Mestrado (2004): Estudo de Primeiros Princ\u00edpios da Intera\u00e7\u00e3o de Mon\u00f3xido de Carbono com Nanotubos de Carbono Semicondutores.<\/p>\n

Doutorado (2008): Campos el\u00e9tricos transversais sobre nanotubos de carbono: um estudo de primeiros princ\u00edpios.<\/p>\n

Leonardo Fernandes Sampaio<\/span><\/p>\n

Mestrado (2015): Estudo de Primeiros Princ\u00edpios de Nanofios de InAs Submetidos a Tens\u00f5es Extremas.<\/p>\n

Mailing Berwanger<\/span><\/em><\/p>\n

Mestrado (2012): Oxida\u00e7\u00e3o de nanofios de InP: Um estudo de primeiros princ\u00edpios.<\/p>\n

Marcelo Pereira Machado<\/span><\/em><\/p>\n

Mestrado (2001): Propriedades Eletr\u00f4nicas e Estruturais de uma Jun\u00e7\u00e3o Molecular Metal-Semicondutor em Nanotubos de Carbono.<\/p>\n

Doutorado (2005): Estudos de primeiros princ\u00edpios de nanocones de BN com 240\u00ba de disclina\u00e7\u00e3o: uma nova proposta.<\/p>\n

M\u00e1rcio Luiz Colussi<\/span><\/em><\/p>\n

Mestrado (2008): Estudo Te\u00f3rico da Estabilidade e Propriedades Eletr\u00f4nicas de defeitos em Nanotubos de GaN.<\/p>\n

Doutorado (2012): Investiga\u00e7\u00e3o te\u00f3rica sobre poss\u00edveis aplica\u00e7\u00f5es na eletr\u00f4nica de nanofios de AlN, GaN e InN: um estudo de primeiros princ\u00edpios.<\/p>\n

Mario Reginaldo Fialho Dorneles<\/span><\/em><\/p>\n

Mestrado (1999): Modelagem para o Sistema Planta-solo: Intera\u00e7\u00f5es Interplantas.<\/p>\n

Doutorado (2004): O Papel da Competi\u00e7\u00e3o por Luz e da Troca de Nutrientes da Intera\u00e7\u00e3o Entre Plantas.<\/p>\n

Mateus H. K\u00f6hler<\/em><\/span><\/p>\n

Mestrado (2015): Estudo Computacional da Viscosidade da \u00c1gua Confinada em Nanotubos de Carbono.<\/p>\n

Maur\u00edcio Jeomar Piotrowsk<\/span><\/em>i<\/p>\n

Mestrado (2009): Estudo de Propriedades Estruturais, Eletr\u00f4nicas e Magn\u00e9ticas de Clusters de Rh13<\/span>, Pd13<\/span>\u00a0e Pt13<\/span>.<\/p>\n

Doutorado (2012): Propriedades Estruturais e Eletr\u00f4nicas de Part\u00edculas de 13 e 55 \u00e1tomos de Metais de Transi\u00e7\u00e3o.<\/p>\n

Rafael de Carvalho Barbosa<\/span><\/em><\/p>\n

Mestrado (2011): Estudo Te\u00f3rico da Intera\u00e7\u00e3o de Fl\u00faor em Nanoestruturas de BC2<\/span>N.<\/p>\n

Raisi Natalia Lenz Baldez<\/span><\/em><\/p>\n

Mestrado (2012): Algoritmo Gen\u00e9tico acoplado a um m\u00e9todo multi-grid e a teoria dos grafos para determina\u00e7\u00e3o da estrutura de equil\u00edbrio de aglomerados at\u00f4micos.<\/p>\n

Renata da Silva Bergoli<\/span><\/em><\/p>\n

Mestrado (2008): Nanotubos de carbono interagindo com Sel\u00eanio: Uma simula\u00e7\u00e3o de primeiros princ\u00edpios.<\/p>\n

Sandro Silva da<\/span>\u00a0Cunha<\/span><\/em><\/p>\n

Mestrado (2014): Estudo de Impureza de Eur\u00f3pio em PbSe e PbTe: Uma Investiga\u00e7\u00e3o de Primeiros Princ\u00edpios.<\/p>\n

Silvete Coradi Guerini<\/span><\/em><\/p>\n

Mestrado (2000): Pequenos aglomerados de BN.<\/p>\n

Doutorado (2004): Estudo de Primeiros Princ\u00edpios de Interfaces e Superf\u00edcies Presentes no Crescimento de BN C\u00fabico.<\/p>\n

Solange Binotto Fagan<\/span><\/em><\/p>\n

Mestrado (2000): Propriedades Eletr\u00f4nicas e Estruturais de Nanotubos de Sil\u00edcio.<\/p>\n

Doutorado (2003): Funcionaliza\u00e7\u00e3o de Nanotubos de Carbono: uma Abordagem de Primeiros Princ\u00edpios.<\/p>\n

Suzana Bottega Peripolli<\/span><\/em><\/p>\n

Mestrado (2002): O papel das vac\u00e2ncias no processo de amorfiza\u00e7\u00e3o do sil\u00edcio cristalino.<\/p>\n

Vagner Alexandre Rigo<\/em><\/span><\/p>\n

Mestrado (2006): Estudo de Propriedades T\u00e9rmicas de Nanofios de Sil\u00edcio.<\/p>\n

Doutorado (2010): Estudo Te\u00f3rico de Nanofitas de Grafeno Dopadas com Ni e Mn.<\/p>\n

Vivian Machado de Menezes<\/span><\/em><\/p>\n

Mestrado (2008): Nanotubos de carbono interagindo com vitaminas B3<\/span>\u00a0e C: um estudo de primeiros princ\u00edpios.<\/p>\n

Doutorado (2012): Propriedades eletr\u00f4nicas e estruturais de nanoestruturas de carbono funcionalizadas para\u00a0aplica\u00e7\u00e3o em sensores.<\/p>\n<\/div>\n

<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t

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Publica\u00e7\u00f5es em peri\u00f3dicos<\/h5>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
\n\t\t\t\t
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2016<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
\n\t\t\t\t
\n\t\t\t\t\t\t\t

Rationalizing the Hydrogen and Oxygen Evolution Reaction Activity of Two-Dimensional Hydrogenated Silicene and Germanene.<\/span><\/em><\/strong><\/p>\n

Caroline J. Rupp,\u00a0<\/span><\/span>Sudip Chakraborty,\u00a0<\/span><\/span>Jonas Anversa,\u00a0<\/span><\/span>Rog\u00e9rio J. Baierle,\u00a0<\/span><\/span>Rajeev Ahuja<\/span><\/p>\n

ACS – Appl. Mater. Interfaces\u00a0<\/cite>8<\/span>\u00a0(2), 1536\u20131544 (2016).<\/a><\/p>\n

\u00a0<\/strong>High pressure driven superconducting critical temperature tuning in Sb2<\/span>Se3<\/span>\u00a0topological insulator.<\/strong><\/em><\/p>\n

Jonas Anversa<\/span>,\u00a0Sudip Chakraborty<\/span>,\u00a0Paulo Piquini,\u00a0<\/span>Rajeev Ahuja<\/span><\/span><\/p>\n

Appl. Phys. Lett.\u00a0108<\/span>, 212601\u00a0(2016).<\/a><\/p>\n

\u00a0<\/strong>First principles study on defectives BN nanotubes for water splitting and hydrogen storage.<\/strong><\/em><\/p>\n

Andressa C. Bevilacqua<\/span>,\u00a0Caroline J. Rupp<\/span>,\u00a0Rog\u00e9rio J. Baierle<\/span><\/p>\n

\n

Chemical Physics Letters\u00a0<\/span>653<\/span>, 161-166 (2016).<\/a><\/p>\n<\/div>\n

New manganese(II) and nickel(II) coordination compounds with N,O-polydentate ligands obtained from pyridoxal and tripodal units.<\/strong><\/em><\/p>\n

Patr\u00edcia Regina Ebani<\/span>,\u00a0Liniquer Andre Fontana<\/span>,\u00a0Patrick Teixeira Campos<\/span>,\u00a0Eduardo F. Rosso<\/span>,\u00a0Paulo C. Piquini<\/span>,\u00a0Bernardo Almeida Iglesias<\/span>,\u00a0Davi Fernando Back<\/span><\/a><\/p>\n

Journal of Molecular Structure 1120,\u00a0 163-170 (2016).<\/span><\/a>
<\/a><\/p>\n

Interaction of \u03b1-Tocopherol with \u03b1- and \u03b2-Cyclodextrins: A First-Principles Investigation.<\/strong><\/em><\/p>\n

Jaci\u00e9li Figueiredo, Leandro Barros da Silva, Renato B. Pontes, Ivana Zanella, and Solange B. Fagan<\/em><\/p>\n

Journal of Nanopharmaceutics and Drug Delivery 3, 70-76 (2016).<\/a>\u00a0
<\/strong><\/em><\/a><\/p>\n

\u00a0<\/strong><\/em>Size effects and the role of density on the viscosity of water confined in carbon nanotubes.<\/strong><\/em><\/p>\n

Mateus Henrique K\u00f6hler, Leandro Barros da Silva<\/p>\n

Chemical Physics Letters 645, 38-41 (2016).<\/a><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

\n\t\t\t\t
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2015<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Asymmetric and symmetric triazenido cyclopalladated complexes: Synthesis, structural analysis and DFT calculations<\/span><\/a><\/strong><\/em><\/p>\n

Ana Paula H\u00e4rter Vaniel, Antonio Eduardo Mauro, Adelino Vieira de Godoy Netto, Eduardo Tonon de Almeida, Paulo Cesar Piquini, Priscilla Zambiazi, Davi Fernando Back, Manfredo H\u00f6rner<\/p>\n

Journal of Molecular Structure 1083, 311-318 (2015).<\/a><\/p>\n

Impurity effect in ultra-thin hydrogenated silicene and germanene. A first principles study.<\/strong><\/em><\/p>\n

RUPP, CAROLINE J ; CHAKRABORTY, SUDIP ; AHUJA, RAJEEV ; BAIERLE, ROG\u00c9RIO JOS\u00c9<\/p>\n

Phys. Chem. Chem. Phys.,17, 22210-22216 (2015).<\/a><\/p>\n

Hydrogen-induced nanotunnel structure on the C-terminated β-SiC(001) c(2\u00d72) surface investigated by ab-initio calculations.<\/strong><\/em><\/p>\n

ROSSO, E.F.; BAIERLE, R.J.; ORELLANA, W.; MIWA, R.H.<\/p>\n

Applied Surface Science, 357, 1753\u20131757 (2015).<\/a><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

\n\t\t\t\t
\n\t\t\t
2014<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Size- effect induced high thermoelectric figure of merit in PbSe and PbTe nanowires<\/strong><\/em><\/p>\n

Ernesto O. Wrasse, Alberto Torres, Rog\u00e9rio J. Baierle, Adalberto Fazzio and Tome M. Schmidt<\/p>\n

Phys. Chem. Chem. Phys. 16, 8114-8118 (2014)<\/a>.<\/p>\n

\u00a0<\/strong><\/em>Functionalization of carbon nanotube by carboxyl group under radial deformation<\/strong><\/em><\/p>\n

I.V. Lara, Ivana\u00a0Zanella and\u00a0S.B. Fagan<\/p>\n

Chemical Physics 428, 117-120 (2014)<\/a>.<\/p>\n

\u00a0<\/strong>Fluorination of BCN nanostructures: A first principles study<\/em><\/strong><\/p>\n

R.C. Barbosa and R.J. Baierle<\/p>\n

Thin Solid Films 551, 136-141 (2014)<\/a>.<\/p>\n

Synthesis, crystal structure, and optical characteristics of [Pd2Hg4Cl6{Te(DMB)}6] 2DMF, [HgClTe(DMB)]4, and the ring-forming cluster [Pd12(TePh)24] 2DMF<\/strong><\/em><\/p>\n

Manzoni de Oliveira, Gelson; TIRLONI, BARBARA;\u00a0Schulz Lang, Ernesto<\/span>; Piquini, Paulo Cesar; HORNER, MANFREDO<\/p>\n

New J. Chem., 2014, Advance Article<\/a>.<\/p>\n

Synthesis of symmetric N,O-donor ligands derived from Pyridoxal (vitamin B6): DFT studies and structural features of their binuclear chelate complexes with the oxofilic uranyl and vanadyl(V) cations<\/strong><\/em><\/p>\n

Back, Davi Fernando;\u00a0 OLIVEIRA, GELSON MANZONI DE; ROMAN, DAIANE; BALLIN, MARCO AUR\u00c9LIO; KOBER, ROGER; Piquini, Paulo Cesar<\/p>\n

Inorganica Chimica Acta\u00a0<\/span>412<\/span>, 6-14 (2014)<\/a>.<\/p>\n

Structural and dynamical properties of water confined in carbon nanotubes<\/strong><\/em><\/p>\n

Leandro Barros da Silva
<\/em><\/strong><\/p>\n

J Nanostruct Chem 4, 104 (2014)<\/a>.<\/p>\n

\u00a0<\/strong>First principles study about Fe adsorption on planar SiC nanostructures: Monolayer and nanoribbon<\/em><\/strong><\/p>\n

E. F. Rosso, R. J Baierle<\/p>\n

Microelectronic Engineering 126, 37-41 (2014)<\/a>.
<\/em><\/strong><\/p>\n

Alloying InAs and InP nanowires for optoelectronic applications: A first principles study<\/strong><\/p>\n


<\/strong>Giuliano R. Toniolo, Jonas Anversa, Cl\u00e1udia L. dos Santos, Paulo Piquini<\/p>\n

Physics Letters A. 378, 2872-2875 (2014).<\/a><\/p>\n

Synthesis, X-ray structural features, DFT calculations and fluorescence studies of a new pyridoxal-benzimidazole ligand and its respective molybdenum complex<\/strong><\/em><\/p>\n


Manzoni de Oliveira, Gelson ; Back, Davi Fernando ; VILLETTI, MARCOS A. ;\u00a0Piquini, Paulo Cesar<\/strong>\u00a0; PEREIRA, MATEUS BRUM ; FONTANA, LINEQUER A. ; KOPP, CRISTI\u00c9LI R<\/p>\n

New J. Chem., 38, 3092-3101 (2014)<\/a>.<\/p>\n

Synthesis and Structure of [ReOSe(2-Se-py)3]: a rhenium(V) complex with Selenium(0) as a ligand<\/strong><\/em><\/p>\n

Cargnelutti, Roberta ;\u00a0Lang, Ernesto S.<\/span>\u00a0;\u00a0Piquini, Paulo<\/strong>\u00a0; ABRAM, ULRICH<\/p>\n

Inorganic Chemistry Communications, 45, 48-50 (2014)<\/a>.<\/a><\/p>\n

Influence of concentration and position of carboxyl groups on the electronic properties of single-walled carbon nanotubes
<\/strong><\/em><\/p>\n

I.V. Lara, Ivana\u00a0Zanella, Antonio Gomes de Souza Filho, S.B. Fagan<\/p>\n

Phys. Chem. Chem. Phys. 16, 21602-21608 (2014)<\/a>.<\/p>\n

Ab initio<\/em>\u00a0study of point defects in PbSe and PbTe: Bulk and nanowire\u00a0
<\/strong><\/p>\n

E. O. Wrasse, P. Venezuela and R. J. Baierle<\/p>\n

J. Appl. Phys.\u00a0116<\/span>, 183703\u00a0(2014).<\/a><\/p>\n

First-principles study of HgTe\/CdTe heterostructures under perturbations preserving time-reversal symmetry<\/strong><\/em><\/p>\n

Jonas Anversa, Paulo Piquini, Adalberto Fazzio, and Tome M. Schmidt<\/p>\n

Physical Review B\u00a090<\/strong>, 195311 (2014).<\/a><\/p>\n

Revealing an unusual transparent phase of superhard iron tetraboride under high pressure<\/strong><\/em><\/p>\n

Komsilp Kotmool,<\/span><\/span>Thanayut Kaewmaray,\u00a0<\/span><\/span>Sudip Chakraborty<\/span><\/span>,\u00a0Jonas Anversa<\/span><\/span><\/strong>,\u00a0Thiti Bovornratanaraks<\/span><\/span>,\u00a0Wei Luo<\/span><\/span>,\u00a0Huiyang Gou<\/span><\/span>,\u00a0Paulo Cesar Piquini<\/span><\/span><\/strong>,\u00a0Tae Won Kang<\/span><\/span>,\u00a0Ho-kwang Mao<\/span><\/span>\u00a0and\u00a0Rajeev Ahuja<\/span><\/span><\/p>\n

PNAS (2014).<\/a><\/span><\/span><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

\n\t\t\t\t
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2013<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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First-principles study of group III\u00a0<\/em><\/strong>impurity doped PbSe: Bulk and nanowire<\/strong><\/p>\n

E.O. Wrasse, R.J. Baierle, A. Fazzio and T.M. Schmidt<\/p>\n

Physical Review B 87, 085428 (2013)<\/a>.<\/p>\n

Oxygen doped SiC nanowires: An ab initio study<\/strong><\/em><\/p>\n

E.F. Rosso and R.J. Baierle<\/p>\n

Chemical Physics Letters 568, 140 (2013)<\/a>.<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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2012<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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Benzene adsorption and the encapsulation processes in SiC nanotubes<\/em>
<\/strong><\/p>\n

J. B. de Oliveira, R. J. Baierle, and R. H. Miwa<\/p>\n

J. App. Phys. 112, 023702 (2012)<\/a>.\u00a0<\/p>\n

First principles study of native defects in BeO<\/em><\/strong><\/p>\n

E. O. Wrasse and R. J. Baierle<\/p>\n

Physics Procedia 28, 79 (2012)<\/a>.<\/p>\n

First-Principles Study of Oxidized BC2<\/sub>N Nanotubes<\/strong><\/em><\/p>\n

Caroline J. Rupp, Jussane Rossato and R. J. Baierle<\/p>\n

International Journal of Quantun Chemistry (2012)<\/a>.<\/p>\n

\u00a0<\/strong>Building Hg (II)\/Cu(I) multinuclear compounds from mercury bis(phenylselenolate)<\/em>
<\/strong><\/p>\n

Rafael Stieler, Robert A. Burrow, P. Piquini and Ernesto S. Lang<\/p>\n

Journal of Organometallic Chemistry 703, 9 (2012)<\/a>.<\/p>\n

New oxidovanadium(V) complexes of the cation [VO]3+<\/sup>: Synthesis, structural characterization and DFT studies<\/strong><\/em><\/p>\n

Davi Fernandes Back, Cristi\u00e9li Rossini Kopp, Gelson Manzoni de Oliveira and P. Piquini<\/p>\n

Polyhedron 36, 21 (2012)<\/a>.<\/p>\n

Synthesis, structural and optical studies of several new ditelluroether iodides<\/strong><\/em><\/p>\n

Roberta Cargnelutti, Ernesto Schulz lang, Gelson Manzoni de Oliveira and P. Piquini<\/p>\n

Polyhedron 39, 106 (2012)<\/a>.<\/p>\n

Electronic and strutural properties of InAs\/InP core\/shell nanowires: A first principles study<\/strong><\/em><\/p>\n

Cl\u00e1udia L. dos Santos and P. Piquini<\/p>\n

J. Appl. Phys. 111, 054315 (2012)<\/a>.<\/p>\n

Platinum-Based Nanoalloys PtnTm55-n (Tm = Co, Rh, Au): A Density Functional Theory Investigation<\/strong><\/em><\/p>\n

Maur\u00edcio J. Piotrowski, P. Piquini and Juarez L. F. Da Silva<\/p>\n

J. Phys. Chem. C 116, 18432 (2012)<\/a>.<\/p>\n

Adsorption of NO on the Rh13<\/sub>, Pd13<\/sub>, Ir13<\/sub>, and Pt13<\/sub>\u00a0Clusters: A Density Functional Theory Investigation<\/strong><\/em><\/p>\n

Maur\u00edcio J. Piotrowski, P. Piquini, \u00a0Zhenhua Zeng and Juarez L. F. Da Silva<\/p>\n

J. Phys. Chem. C (2012)<\/a>.<\/p>\n

Water filling of carbon nanotubes membranes: Porosity and temperature effects<\/strong><\/em><\/p>\n

Ana Claudia Kippes and Leandro Barros da Silva<\/p>\n

Chemical Physics Letters 552, 84 (2012)<\/a>.<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

\n\t\t\t\t
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Quantum confinement and spin-orbit interactions in PbSe and PbTe nanowires: First-principles calculation<\/em><\/strong><\/p>\n

E. O. Wrasse, R. J. Baierle, T. M. Schmidt and A. Fazzio<\/p>\n

Physical Review B 84, 245324 (2011).<\/p>\n

Ab Initio Study of Hydrogen Interaction with Defective BC2<\/sub>N Nanotubes<\/strong><\/em><\/p>\n

J. Rossato and R. J. Baierle<\/p>\n

J Low Temp Phys 164, 41-53 (2011).<\/p>\n

Doping effects of C, Si and Ge in wurtzite [0001] GaN, AlN and InN nanowires<\/strong><\/em><\/p>\n

M. L. Colussi, R. J. Baierle and R. H. Miwa<\/p>\n

J. App. Phys. 110, 033709 (2011).\u00a0<\/p>\n

The effects of an explicit water environment on the interaction of a single wall carbon nanotube with amino acids: A theoretical study<\/strong><\/em><\/p>\n

Jonas Anversa and Paulo Piquini<\/p>\n

Chemical Physics Letters 518, 81 (2011).<\/p>\n

The influence of the stacking orientation of C and BN stripes in the structure, energetics, and eletronic properties of BC2<\/sub>N nanotubes<\/strong><\/em><\/p>\n

M. Machado, T. Kar and P. Piquini<\/p>\n

Nanotechnology 22, 205706 (2011).<\/p>\n

On the p-type character of Cd-and Zn-doped InAs nanowires<\/strong><\/em><\/p>\n

Cl\u00e1udia L dos Santos, Tom\u00e9 M Schmidt and P. Piquini<\/p>\n

\u00a0Nanotechnology 22, 265203 (2011).<\/p>\n

Trnsition-metal 13-atom clusters assessed with solid and surface-biased functionals<\/em><\/strong><\/p>\n

Maur\u00edcio J. Piotrowski, P. Piquini, Mariana M. Odashima and Juarez L. F. Da Silva<\/p>\n

J. Chem. Phys. 134, 134105 (2011).\u00a0<\/strong><\/p>\n

\u00a0<\/strong>The role of electron localization in the atomic struture of transition-metal 13-atom clusters: the example of Co13<\/sub>, Rh13<\/sub>, and Hf13<\/sub><\/strong><\/em><\/p>\n

Maur\u00edcio J. Piotrowski, P. Piquini, Ladir C\u00e2ndido and Juarez L. F. Da Silva<\/p>\n

Phys. Chem. Chem. Phys 13, 17242 (2011).<\/p>\n

\u00a0<\/strong>C-S cross-coupling of thiols aryl iodides under ligand-free conditions using nano copper oxide as a recyclable catalyst in ionic liquid<\/em><\/strong><\/p>\n

Ricardo S. Schwab, Devender Singh, Eduardo E. Alberto, P. Piquini, Oscar E. D. Rodrigues and Antonio L. Braga<\/p>\n

Catal. Sci. Technol 1, 569 (2011).<\/p>\n

Selenium Nanostructures Adsorbed on Carbon Nanotubes: A \u00a0DFT Investigation<\/strong><\/em><\/p>\n

R. Bergoli, R. Mota, I. Zanella, L. B. da Silva,\u00a0S. B. Fagan<\/p>\n

Journal of Computational and Theoretical Nanoscience 8, 1710 (2011).<\/p>\n

Magnetization profile for impurities in graphene nanoribbons<\/strong><\/em><\/p>\n

S. R. power. V. M. de Menezes, S. B. Fagan and M. S. Ferreira<\/p>\n

Phys. Review B 84, 195431 (2011).<\/p>\n

Electronic transport properties of ascorbic acid and nicotinamide adsorbed on single-walled carbon nanotubes<\/strong><\/em><\/p>\n

V. M. de Menezes, A. R. Rocha, I. Zanella, R. Mota, A. fazzio, S. B. Fagan<\/p>\n

Chemical Physics Letters 506, 233 (2011).<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

\n\t\t\t\t
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First principles study of native defects in a graphitic BC2<\/sub>N monolayer<\/em>
<\/strong><\/p>\n

R. C. Barbosa, P. S. Guimar\u00e3es and R. J. Baierle<\/p>\n

Thin Solid Films 518, 4356 (2010).<\/p>\n

Mn-doped cubic BN as an atomiclike memory device: A density functional study<\/strong><\/em><\/p>\n

Amt\u00f4nio J. R. da Silva, P. Piquini, J. T. Arantes, R. J. Baierle and A. Fazzio<\/p>\n

Physical Review B 81, 195432 (2010).<\/p>\n

Diameter dependece of mechanical, eletronic, and structural properties of InAs and InP nanowires<\/em><\/strong>: A density functional study<\/strong><\/em><\/p>\n

Cl\u00e1udia L. dos Santos and P. Piquini<\/p>\n

Physical Review B 81, 075408 (2010).<\/p>\n

Low hole effective mass in thin InAs nanowires<\/em><\/strong><\/p>\n

Cl\u00e1udia L. dos Santos, P. Piquini, Erika N. Lima and Tome M. Schmidt<\/p>\n

Appl. Phys. Lett 96, 043111 (2010).<\/p>\n

AlN, GaN, Alx<\/sub>Ga1-x<\/sub>\u00a0nanotubes and GaN\/Alx<\/sub>Ga1-x<\/sub>N nanotube heterojunctions<\/strong><\/em><\/p>\n

James M. de Almeida, Tapas Kar and P. Piquini<\/p>\n

Physics Letters A 374, 877 (2010).<\/p>\n

Density functional theory investigation of 3d, 4d, and 5d 13-atom metal clusters<\/strong><\/em><\/p>\n

Maur\u00edcio J. Piotrowski, P. Piquini and Juarez L. F. Da Silva<\/p>\n

Phys. Review B 81, 155446 (2010).<\/p>\n

Synthesis and chracterization of [Cd8Cl2Se(SePh)12(PCy3)2]A 2.5CH3OH<\/strong><\/em><\/p>\n

Stieler R., Bublitz F., Burrow R. A., G. N. M. de OLiveira, M. A. Villetti, M. B. Pereira, E. Lang, P. Piquini<\/p>\n

Journal of the Brazilian Chemical Society 21, 2146 (2010).<\/p>\n

First Principles Study of Transverse Electric Fields on Carbon Nanotubes<\/strong><\/em><\/p>\n

L. B. da Silva and Solange B. Fagan<\/p>\n

AlP Conf. Proc. 1199, 341 (2010).<\/p>\n

Benzonitrito Adsorption on Fe-Doped Carbon Nanostructures<\/strong><\/em><\/p>\n

A. L. Aguiar, S. B. Fagan, L. B. da Silva, J. Mendes Filho and G. Souza Filho<\/p>\n

J. Phys. Chem. C 114, 10790 (2010).<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

\n\t\t\t\t
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2009<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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First principles study of Si-doped BC2<\/sub>N nanotubes<\/em><\/strong><\/p>\n

C. J. Rupp, J. Rossato, R. J. Baierle<\/p>\n

J. Chem. Phys. 130, 114710 (2009).<\/p>\n

Electronic and structural properties of two mirrored boron-nitride nanocones with 240\u00b0\u00a0<\/sup>disclination<\/strong><\/em><\/p>\n

M. Machado, I. A. Larkin, P. Piquini<\/p>\n

Braz. J. Phys. 39, 239 (2009).<\/p>\n

Carboxylated carbon nanotubes under external electrical field: An ab initio investigation<\/strong><\/em><\/p>\n

L. B. da Silva, S. B. Fagan and R. Mota<\/p>\n

J. Phys. Chem. C 113, 8959 (2009).<\/p>\n

Model of impurity segregation in graphene nanoribbons<\/strong><\/em><\/p>\n

S. R. Power, V. M. de Menezes, S. B. Fagan and M. S. Ferreira<\/p>\n

Phys. Review B 80, 235424 (2009).<\/p>\n

Enhanced spin-valve effect in magnetically doped carbon nanotubes<\/strong><\/em><\/p>\n

D. F. Kirwan, V. M. Menezes, C. G. Rocha, A. T. Costa, R. B. Muniz, s. B. Fagan, M. S. Ferreira<\/p>\n

Carbon (New York) 47, 2533 (2009).<\/p>\n

Carbon nanonotubes interacting with vitamins: First principles calculations<\/strong><\/em><\/p>\n

V. M. Menezes, S. B. Fagan, I. Zanella, R. Mota<\/p>\n

Microelectronics Journal 40, 877 (2009).<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t

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2004<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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    \n
  • Ab initio study of BN nanoarches’ surfaces. P. C. Piquini, S. C. Guerini, Surf. Sci. 555, 179 (2004).<\/li>\n
  • Substitutional Si Doping in Deformed Carbon Nanotubes. S. B. Fagan, R. Mota, A. J. R. da Silva, A. Fazzio, Nano Lett. 4, 975 (2004).\u00a0<\/li>\n
  • Charge distributions in BN nanocones: electric field and tip termination effects. P. C. Piquini, M. P. Machado, R. Mota, Chem. Phys. Lett. 392, 428 (2004).\u00a0<\/li>\n
  • A model for hyphae-induced interaction between plants. M. R. D. Fialho, C. A. M. da Silva, C. M. Silva, A. A. G. Gomes, Ecological Modelling 174, 323 (2004).\u00a0<\/li>\n
  • Theoretical study of Si impurities in BN nanotubes. P. C. Piquini, S. C. Guerini, T. Car, Eur. Phys. J. B, 38, 515 (2004).<\/li>\n
  • Ab Initio Study of Deformed Carbon Nanotube Sensors for Carbon Monoxide. L. B. da Silva, S. B. Fagan, R. Mota, Nano Lett. 4, 65 (2004).<\/li>\n
  • An Ab Initio Study of Manganese Atoms and Wires Interacting with Carbon Nanotubes. S. B. Fagan, R. Mota, A. J. R. da Silva, A. Fazzio, J. Phys. Cond. Matt. 16, 3647 (2004).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
    \n\t\t\t\t
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    2003<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
    \n\t\t\t\t
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      \n
    • Electronic properties of BN nanocones. P. C. Piquini, M. P. Machado, R. Mota, Mat. Charac. 50, 179 (2003).<\/li>\n
    • Electronic properties of BN nanocones under electric fields. P. C. Piquini, M. P. Machado, R. Mota, Microelectronics Journal 34, 545 (2003).<\/li>\n
    • Energetics and electronic properties of BN nanocones with pentagonal rings at their apexes. P. C. Piquini, M. P. Machado, R. Mota, Eur. Phys. J. D. 23, 91 (2003).\u00a0<\/li>\n
    • Structural and electronic properties of small BxNy (x+y=6) clusters. S. C. Guerini, P. C. Piquini, Int J Q Chem 93, 329 (2003).<\/li>\n
    • Theoretical study of native defects on BN nanotubes. T. M. Schmidt, R. J. Baierle, P. Piquini, A. Fazzio, Phys. Rev. B 67, 113407 (2003).<\/li>\n
    • Ab initio study of an iron atom interacting with single-wall carbon nanotubes. S. B. Fagan, A. J. R. da Silva, R. Mota, A. Fazzio, Phys. Rev. B 67, 205414 (2003).<\/li>\n
    • Theoretical investigation of TiB2 nanotubes. S. C. Guerini, P. C. Piquini, Microelectronics Journal 34, 495 (2003).<\/li>\n
    • Ab initio study of radial deformation plus vacancy on carbon nanotubes: Energetics and electronics properties. S. B. Fagan, L. B. da Silva, R. Mota, Nano Lett. 3, 289 (2003).<\/li>\n
    • Functionalization of carbon nanotubes through the chemical binding of atoms and molecules. S. B. Fagan, A. J. R. da Silva, R. Mota, R.J. Baierle, and A. Fazzio, Phys. Rev. B 67,0334665 (2003).<\/li>\n
    • Ab initio study of an organic molecule interacting with a silicon-doped carbon nanotubes. S. B. Fagan, A. J. R. da Silva, R. Mota, R.J. Baierle, A. Fazzio, Diamond and Related Mat. 12, 861 (2003).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
      \n\t\t\t\t\t\t
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      2002<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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      • Structural and electronic properties of small BxNy (x+y=6) clusters. P. Piquini, S. Guerini, International Journal of Quantum Chemistry 95 , 329 (2002).<\/li>\n
      • Electronic and Structural Properties of 240 nanocones. P. Piquini, M. P. Machado, R. Mota, Physica Status Solidi C 0, 792 (2002).<\/li>\n
      • Energetics and structural properties of adsorbed atoms and molecules on silicon-doped carbon nanotubes. S. B. Fagan, A. J. R. da Silva, R. Mota, R.J. Baierle, A. Fazzio, Mat. Caracterization, 2002.<\/li>\n
      • Mechanism of dopant segregation to SiO2\/Si(001) interfaces. J. Dabrowski, H. J. Mussig, V. Zavodinsky, R. J. Baierle, M. J. Caldas, Phys. Rev. B 65, 245305 (2002).<\/li>\n
      • Magnetic moments of transition impurities in antiperovskites. C. M. Granada, C. M. da Silva, A. A. Gomes, Solid State Communications 122, 269 (2002).<\/li>\n
      • Some experimental and theoretical studies on the Mn magnetic moment in Y(Ni_1-x Mn_x)_2 B_2 C. F. S. da Rocha, G. L. F. Fraga, D. E. Brand\u00e3o, C. M. Granada, C. M. da Silva, and A. A. Gomes, Eur. Phys. J. B 25, 307 (2002).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
        \n\t\t\t\t\t\t
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        2001<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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          \n
        • Electronic and Structural Properties of Carbon Nanotubes Molecular Junction. P. Piquini, M. P. Machado, R. Mota, A. Fazzio, Materials Research Bulletin. 633, 14331 (2001).<\/li>\n
        • Systematic study of small BN clusters. S. Guerini, P. Piquini, Eur. Phys. J. D 16 , 17 (2001).<\/li>\n
        • A model for hyphae effects in phosphorous absorption by plants. M. R. F. Dorneles, C. M. da Silva, A. A. Gomes, Ecological Modelling 142, 83 (2001).<\/li>\n
        • Stability investigation and thermal behavior of a hypothetical silicon nanotube. S. B. Fagan, R. Mota, R.J. Baierle, G. Paiva, A. J. R. da Silva, A. Fazzio, Journal of Molecular Structure (Theochem) 539, 101 (2001).<\/li>\n
        • Electronic and structural properties of silicon-doped carbon nanotubes. R. J. Baierle, S. B. Fagan, R. Mota, A. J. R. da Silva, A. Fazzio, Phys. Rev. B 64, 085413 (2001).<\/li>\n
        • Ab initio study of Si doped carbon nanotubes: electronic ans structural properties. A. Fazzio, R. J. Baierle, S. B. Fagan, R. Mota, A. J. R. da Silva, Mat. Res. Soc. Symp. Proc. 675, w8.4.1 (2001).<\/li>\n
        • Energetics and structural investigation of double-walled carbon and silicon nanotubes. S. B. Fagan, D. S. Sartor, R. Mota, R. J. Baierle, A. J. R. da Silva, A. Fazzio, Mat. Res. Soc. Symp. Proc. 633, A13.41.1 (2001).<\/li>\n
        • Modeling of natural systems: a physicist approach. C. M. da Silva, Ci\u00eancia e Sociedade Cbpf. CBPF: 04\/01, 1 (2001).<\/li>\n
        • Ab-initio Calculations on the Compensations Mechanisms in InP. T. Schmidt, R. H. Miwa, R. Mota, A. Fazzio, Solid State Communications 117, 353 (2001).<\/li>\n
        • Native Defects in Germanium. A. J. R. da Silva, R. Baierle, R. Mota, A. Fazzio, Physica B 302, 364 (2001).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
          \n\t\t\t\t\t\t
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          2000<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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          • Ab-initio calculations for hypothetical material: silicon nanotubes. S. B. Fagan, R.J. Baierle, R. Mota, A. J. R. da Silva, A. Fazzio, Phys. Rev. B 61, 9994 (2000).<\/li>\n
          • Mechanism of dopant segregation to SiO2\/Si(001) interface. R.J. Baierle, Journal of Vacuum Science and Technology B 18, 2160 (2000).<\/li>\n
          • Microscopic picture of single vacancy in germanium. A. Fazzio, A.J.R. da Silva, A. Janotti, R. Mota, Phys. Rev. B 61, 2401 (2000).<\/li>\n
          • Segregation of phosporus to SiO2\/Si(001) interface. R.J. Baierle, Materials Science of Semiconductor Processing 3, 85 (2000).<\/li>\n
          • Self-Interstitial defect in Germanium. A. J.R. da Silva, A. Fazzio, R. Baierle, R. Mota, Phys. Rev. B 62, 9903 (2000).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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            1999<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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              \n
            • Dynamics of soil-plant interaction: a two plant model. C. M. Silva, M. R. F. Dorneles, A. A. Gomes. Anais da Academia Brasileira de Ci\u00eancias 71, 215 (1999).<\/li>\n
            • Specific heat and electronic structure of Heusler compounds Ni2TAl. C. M. Silva, G. L. F. Fraga, D. E. Brand\u00e3o, F. S. Rocha, and A. A. Gomes, Physica B. 269, 154 (1999).<\/li>\n
            • [P1](n) antisites clustering in InP. R. Mota, A. Fazzio, T. M. Schmidt, R. H. Miwa, Phys. Rev. B 60, 16475 (1999).<\/li>\n
            • Concerted-exchange mechanism for pair-defect in GaAs. P. C. Piquini, R. Mota, A. Fazzio, A. Janotti, Solid State Comm. 110, 457 (1999).<\/li>\n
            • Electronic and structural properties of vacancy and self-interstitial defects in Germanium. A. Fazzio, R. Mota, A. Silva, R. Baierle, A. Janotti, Physica B 273, 575 (1999).<\/li>\n
            • Intrinsic dopping InP: ab initio calculations of PIn Aantisities. R. Mota, A. Fazzio, T. M. Schmidt, R. H. Miwa, Physica B 273, 831 (1999).<\/li>\n
            • Quantum-chemistry study of semicondutor system: the initial oxidation of the (111)Si-H surface. R. Baierle, R. J. Caldas, Int. J. Mod. Phys. B 13, 2733 (1999).<\/li>\n
            • A unified microscopic mechanism for donor deactivation in Si. R. Baierle, Physica B 274, 260 (1999).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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              1998<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                \n
              • Electronic and Structural Trends in Small GaAs Clusters. P.C. Piquini, S. Canuto, A. Fazzio. Nanostructured Materials 10, 635 (1998).<\/li>\n
              • Pseudo-quaternary boro-carbides: a two sub-lattice model. C. A. M. da Silva, Physica C 304, 73 (1998).<\/li>\n
              • Theoretical Study of Defect Complexes Related With Antisites in GaAs. P. R. Piquini, R. Mota, Radiat. Eff. Defects 146 , 70 (1998).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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                1997<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                • N-Vacancy Defects in c-BN and w-BN. R. Mota, P. C. Piquini, V. Torres and A. Fazzio, ICDS – Mat. Sci. Forum (1997).<\/li>\n
                • Theoretical Study of Antistructure Defects in GaAs. R. Mota, P. C. Piquini, A. Janotti, A. Fazzio, ICDS – Mat. Sci. Forum (1997).<\/li>\n
                • Defect complexes in GaAs. P. Piquini, A. Janotti, A. Fazzio, R. Mota, Phys. Rev. B 56, 13073 (1997).<\/li>\n
                • Electronic and structural properties of defects in c-BN. P. Piquini, T. Schmidt, A. Fazzio, R. Mota, International Journal of Quantum Chemistry. 65, 941 (1997).<\/li>\n
                • Electronic and structural studies of complex defects in GaAs. P. Piquini, A. Janotti, A. Fazzio and R. Mota, Brazilian Journal of Physics 27\/A, 110 (1997).<\/li>\n
                • Complex-Defects Related with Electrical Isolation By Ion-Irradiation in n-GaAs: A Theoretical Study. R. Mota, P. C. Piquini, A. Janotti, A. Fazzio, ICDS – Computacional Material Science (1997).<\/li>\n
                • Theoretical studies of native defects in cubic boron nitride. P. Piquini, T. Schmidt, A. Fazzio, R. Mota, Phys. Rev. B 56, 3556 (1997).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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                  1996<\/h5>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t
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                  • The Interaction of Atoms with GaAs[110] Surface Using Local Softness Model. P. C. Piquini, Brazilian Journal of Physics 26, 1 (1996).<\/li>\n
                  • Heusler Coumponds with MN: A Model for Some Magnetic Properties. C. A. M. da Silva, A. A. Gomes, J. M. M. M. 162, 107 (1996).<\/li>\n<\/ul>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"

                    Teses e disserta\u00e7\u00f5es Alexandre Castro Mestrado (1999): C\u00e1lculo da varia\u00e7\u00e3o da constante de acoplamento do YBa2Cu3O7\u00a0com a press\u00e3o. Ana Claudia Kipper Mestrado (2013): An\u00e1lise das Propriedades Din\u00e2micas e Estrutural da \u00c1gua Confinada entre Placas Hidrof\u00f3bicas. Andressa da Cunha Bevilacqua Mestrado (2014): Estudo te\u00f3rico de defeitos em nanotubo de BN. Bruno de Oliveira Vendrusculo Mestrado (2012): […]<\/p>\n","protected":false},"author":25,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[],"tags":[],"class_list":["post-33","page","type-page","status-publish","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/pages\/33","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/users\/25"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/comments?post=33"}],"version-history":[{"count":0,"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/pages\/33\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/media?parent=33"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/categories?post=33"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ufsm.br\/laboratorios\/leelmat\/wp-json\/wp\/v2\/tags?post=33"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}