| 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 | 46 | 2018 |
| 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 | 28 | 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 | 22 | 2019 |
| 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 | 21 | 2020 |
| Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers JFRV Silveira, R Besse, AC Dias, NAMS Caturello, JLF Da Silva The Journal of Physical Chemistry C 126 (21), 9173-9184, 2022 | 13 | 2022 |
| Influence of Metal, Ligand and Solvent on Supramolecular Polymerizations with Transition‐Metal Compounds: A Theoretical Study NAMS Caturello, Z Csók, G Fernández, RQ Albuquerque Chemistry–A European Journal 22 (49), 17681-17689, 2016 | 13 | 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 | 9 | 2017 |
| Chiral Cation Doping for Modulating Structural Symmetry of 2D Perovskites Y Xie, J Morgenstein, BG Bobay, R Song, NAMS Caturello, PC Sercel, ... Journal of the American Chemical Society 145 (32), 17831-17844, 2023 | 7 | 2023 |
| 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 | 6 | 2015 |
| Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au (111) surface: Interplay between interaction energy and morphology MP Lima, NAMS Caturello, JLF Da Silva Applied Surface Science 604, 154413, 2022 | 2 | 2022 |
| 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 | 2 | 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 | 2 | 2020 |
| Rashba Spin Splitting Limiting the Application of 2D Halide Perovskites for UV-Emitting Devices EA Morais, NAMS Caturello, MA Lemes, H Ferreira, FF Ferreira, ... ACS Applied Materials & Interfaces 16 (3), 4261-4270, 2024 | | 2024 |
| Crystal structure determination and DFT analysis of doxorubicin hydrochloride for controlled-release drug formulations VDN Bezzon, NAM dos Santos Caturello, GM Dalpian, FF Ferreira Journal of Molecular Structure 1294, 136412, 2023 | | 2023 |
| Pressure-Induced Stabilization of Sodium Halide Perovskites NAMS Caturello, FP Sabino, JA Souza, GM Dalpian The Journal of Physical Chemistry C 126 (8), 4248-4254, 2022 | | 2022 |
| Stabilization and Metallization of Sodium Halide Perovskites N Caturello, F Sabino, J Souza, G Dalpian APS March Meeting Abstracts 2022, A69. 011, 2022 | | 2022 |
Juarez L. F. Da SilvaUniversity of Săo Paulo (USP), Săo Carlos Institute of Chemistry (IQSC), Săo Carlos, SP, BrazilVerified email at iqsc.usp.br
