Naidel Caturello
Naidel Caturello
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Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2, MoSe2, and MoTe2
NAMS Caturello, R Besse, ACH Da Silva, D Guedes-Sobrinho, MP Lima, ...
The Journal of Physical Chemistry C 122 (47), 27059-27069, 2018
Edge, size, and shape effects on WS 2, WSe 2, and WTe 2 nanoflake stability: design principles from an ab initio investigation
ACH Da Silva, NAMS Caturello, R Besse, MP Lima, JLF Da Silva
Physical Chemistry Chemical Physics 21 (41), 23076-23084, 2019
Size-Induced Phase Evolution of MoSe2 Nanoflakes Revealed by Density Functional Theory
R Besse, NAMS Caturello, CMO Bastos, D Guedes-Sobrinho, MP Lima, ...
The Journal of Physical Chemistry C 122 (35), 20483-20488, 2018
Influence of metal, ligand and solvent on supramolecular polymerizations with Transition-Metal compounds: a theoretical study
R Queiroz De Albuquerque, N Caturello, Z Csok
Chemistry: A European Journal 22 (49), 17681-17689, 2016
Palladium-Mediated Catalysis Leads to Intramolecular Narcissistic Self-Sorting on a Cavitand Platform
Z Nagymihály, NAMS Caturello, A Takátsy, G Aragay, L Kollár, ...
The Journal of organic chemistry 82 (1), 390-396, 2017
Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation
R Costa-Amaral, A Forhat, NAMS Caturello, JLF Da Silva
Surface Science 701, 121700, 2020
Intramolecular cooperative effects in multichromophoric cavitands exhibiting nonlinear optical properties
Z Csók, P Szuroczki, L Kollar, HM Ngo, I Ledoux-Rak, NAMS Caturello, ...
The Journal of Physical Chemistry C 119 (22), 12608-12615, 2015
First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes
NAMS Caturello, R Besse, JFRV Silveira, MP Lima, JLF Da Silva
Physica E: Low-dimensional Systems and Nanostructures 126, 114472, 2021
Ab initio insights into the stabilization and binding mechanisms of MoS 2 nanoflakes supported on graphene
NAMS Caturello, JFRV Silveira, JLF Da Silva
Physical Chemistry Chemical Physics 22 (46), 26865-26875, 2020
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