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
61 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
45 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
26 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
21 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
16 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 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
11 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
9 2022 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
5 2020 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 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
1 2022 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
2022 
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilE-mail confirmado em iqsc.usp.br
