Zobrazeno 1 - 10 of 13 pro vyhledávání: '"Naidel A. M. S. Caturello"'
2
Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation
Autor: Rafael Besse, Matheus P. Lima, Augusto C. H. Da Silva, Naidel A. M. S. Caturello, Juarez L. F. Da Silva
Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
An improved atomistic understanding of the W-based two-dimensional transition-metal dichalcogenides (2D TMDs) is crucial for technological applications of 2D materials, since the presence of tungsten endows these materials with distinctive properties
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a3097a0c0eefb871dab7915be69039e
https://doi.org/10.1039/c9cp03698a
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5
Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation
Autor: Ahmad Forhat, Juarez L. F. Da Silva, Naidel A. M. S. Caturello, Rafael Costa-Amaral
Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
The adsorption of metal (M) adatoms on two-dimensional (2D) transition-metal dichalcogenides (TMDs) monolayers have been used to tune the physical-chemical properties of 2D TMDs such as MoS2, however, our atomistic understanding of the binding mechan
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61d3f651d6a94e872baec4cd7a84b97d
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6
Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene
Autor: Julian F.R.V. Silveira, Juarez L. F. Da Silva, Naidel A. M. S. Caturello
Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
An atomistic understanding of transition-metal dichalcogenide (TMD) nanoflakes supported on graphene (Gr) plays an important role in the tuning of the physicochemical properties of two-dimensional (2D) materials; however, our current atom-level under
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::293ceda26217a4409804f06c5c525102
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7
Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2, MoSe2, and MoTe2
Autor: Augusto C. H. Da Silva, Naidel A. M. S. Caturello, Rafael Besse, Matheus P. Lima, Diego Guedes-Sobrinho, Juarez L. F. Da Silva
Publikováno v: The Journal of Physical Chemistry C. 122:27059-27069
An atom-level understanding of the evolution of the physical and chemical properties of transition-metal dichalcogenide (TMD) nanoflakes is a key step to improve our knowledge of two-dimensional (2D) TMD materials, which can help in the designing of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::01e458354610b70b73f380794748897d
https://doi.org/10.1021/acs.jpcc.8b07127
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8
Size-Induced Phase Evolution of MoSe2 Nanoflakes Revealed by Density Functional Theory
Autor: Rafael Besse, Diego Guedes-Sobrinho, Juarez L. F. Da Silva, Naidel A. M. S. Caturello, Carlos M. O. Bastos, Matheus P. Lima, Guilherme Matos Sipahi
Publikováno v: The Journal of Physical Chemistry C. 122:20483-20488
The control of the relative stability between trigonal prismatic and octahedral structures in transition-metal dichalcogenides (TMDs) is an important step toward technological applications of 2D TMDs materials, where the electronic properties have a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::799b909d48aef68a5814be3907150ca9
https://doi.org/10.1021/acs.jpcc.8b03254
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9
Palladium-Mediated Catalysis Leads to Intramolecular Narcissistic Self-Sorting on a Cavitand Platform
Autor: Gemma Aragay, Anikó Takátsy, László Kollár, Naidel A. M. S. Caturello, Zoltán Nagymihály, Zsolt Csók, Rodrigo Q. Albuquerque
Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Palladium-catalyzed aminocarbonylation reactions have been used to directly convert a tetraiodocavitand intermediate into the corresponding carboxamides and 2-ketocarboxamides. When complex mixtures of the amine reactants are employed in competition
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24373bce83310dc91d1690c76f41ab24
https://doi.org/10.1021/acs.joc.6b02472
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10
Edge, size, and shape effects on WS
Autor: Augusto C H, Da Silva, Naidel A M S, Caturello, Rafael, Besse, Matheus P, Lima, Juarez L F, Da Silva
Publikováno v: Physical chemistry chemical physics : PCCP. 21(41)
An improved atomistic understanding of the W-based two-dimensional transition-metal dichalcogenides (2D TMDs) is crucial for technological applications of 2D materials, since the presence of tungsten endows these materials with distinctive properties
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::9b4846294376b2bd1eff01cae58a711a
https://pubmed.ncbi.nlm.nih.gov/31595273
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