491 citations · 2.4k across the 65 of their papers we have counts for
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Topological insulating phase arising in transition metal dichalcogenide alloy
F. Crasto de Lima, B. Focassio, R. H. Miwa +1
Transition metal dichalcogenides have been the subject of numerous studies addressing technological applications and fundamental issues. Single-layer PtSe2 is a semiconductor with…
Nanoscale Structural and Electronic Properties of Cellulose/Graphene Interfaces
Gustavo H. Silvestre, Felipe Crasto de Lima, Juliana S. Bernardes +2
The development of electronic devices based on the functionalization of (nano)cellulose platforms relies upon an atomistic understanding of the structural, and electronic propertie…
Vacancy localization effects on MX2 transition metal dichalcogenides: a systematic ab-initio study
Rafael L. H. Freire, Felipe Crasto de Lima, Adalberto Fazzio
Two-dimensional transition metal dichalcogenides (MX) vacancy formation energetics is extensively investigated. Within an ab-initio approach we study the MX systems, with M…
Connecting Higher-Order Topology with the Orbital Hall Effect in Monolayers of Transition Metal Dichalcogenides
Marcio Costa, Bruno Focassio, Tarik P. Cysne +5
Monolayers of transition metal dichalcogenides (TMDs) in the 2H structural phase have been recently classified as higher-order topological insulators (HOTI), protected by rot…
The role of functional thiolated molecules on the enhanced electronic transport of interconnected MoS nanostructures
Rafael L. H. Freire, Felipe Crasto de Lima, Rafael Furlan de Oliveira +2
Molecular linkers have emerged as an effective strategy to improve electronic transport properties on solution-processed layered materials via defect functionalization. However, a…
High throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds
Gabriel M. Nascimento, Elton Ogoshi, Adalberto Fazzio +2
The development of spintronic devices demands the existence of materials with some kind of spin splitting (SS). In this Data Descriptor, we build a database of ab initio calculated…