| Ab initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements CMO Bastos, R Besse, JLF Da Silva, GM Sipahi Physical Review Materials 3 (4), 044002, 2019 | 68 | 2019 |
| 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 |
| First-Principles Exploration of Two-Dimensional Transition Metal Dichalcogenides based on Fe-, Co-, Ni-, and Cu-Groups and their van der Waals Heterostructures R Besse, MP Lima, JLF Da Silva ACS Applied Energy Materials 2 (12), 8491-8501, 2019 | 27 | 2019 |
| Origin of and tuning the optical and fundamental band gaps in transparent conducting oxides: The case of FP Sabino, R Besse, LN Oliveira, SH Wei, JLF Da Silva Physical Review B 92 (20), 205308, 2015 | 26 | 2015 |
| 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 |
| Electronic structure of layered quaternary chalcogenide materials for band-gap engineering: The example of R Besse, FP Sabino, JLF Da Silva Physical Review B 93 (16), 165205, 2016 | 19 | 2016 |
| The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI 3 perovskites MS Ozório, M Srikanth, R Besse, JLF Da Silva Physical Chemistry Chemical Physics 23 (3), 2286-2297, 2021 | 18 | 2021 |
| 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 |
| Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures R Besse, JFRV Silveira, Z Jiang, D West, S Zhang, JLF Da Silva 2D Materials 8 (4), 041002, 2021 | 13 | 2021 |
| Stacking Order Effects on the Electronic and Optical Properties of Graphene/Transition Metal Dichalcogenide Van der Waals Heterostructures JFRV Silveira, R Besse, JLF Da Silva ACS Applied Electronic Materials 3 (4), 1671-1680, 2021 | 13 | 2021 |
| The role of the alkali and chalcogen atoms on the stability of the layered chalcogenide (A= alkali-metal; M= metal-cations; Q= chalcogen) compounds: a density functional theory … R Besse, JLF Da Silva Journal of Physics: Condensed Matter 29 (3), 035402, 2016 | 12 | 2016 |
| Ab initio investigation of topological phase transitions induced by pressure in trilayer van der Waals structures: the example of h-BN/SnTe/h-BN MP Lima, R Besse, JLF Da Silva Journal of Physics: Condensed Matter 33 (2), 025003, 2020 | 4 | 2020 |
| Ab initio screening of two-dimensional CuQ x and AgQ x chalcogenides GK Inui, JFRV Silveira, AC Dias, R Besse, JLF Da Silva Journal of Physics: Condensed Matter 34 (30), 305703, 2022 | 3 | 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 |
| Prediction of Effective Photoelectron and Hole Separation in Type-I MoS2/PtSe2 van der Waals Junction R Besse, H Wang, D West, JLF Da Silva, S Zhang The Journal of Physical Chemistry Letters 13 (28), 6407-6411, 2022 | 1 | 2022 |
| Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights JE González, R Besse, MP Lima, JLF Da Silva Journal of Chemical Information and Modeling, 2024 | | 2024 |
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilVerified email at iqsc.usp.br
