112 citations · 585 across the 19 of their papers we have counts for
4 papers · 1 filter
Amorphous BiSe structural, electronic, and topological nature by first-principles
Bruno Focassio, Gabriel R. Schleder, F. Crasto de Lima +2
Crystalline is one of the most explored three-dimensional topological insulator, with a energy gap making it promising for applications. Its amorphous…
Machine learning for materials discovery: two-dimensional topological insulators
Gabriel R. Schleder, Bruno Focassio, Adalberto Fazzio
One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to effi…
Conformational analysis of tannic acid: environment effects in electronic and reactivity properties
Romana Petry, Bruno Focassio, Gabriel R. Schleder +2
Polyphenols are natural molecules of crucial importance in many applications, of which tannic acid (TA) is one of the most abundant and established. Most high-value applications re…
Unveiling the dopant segregation effect at hematite interfaces
Felipe Crasto de Lima, Gabriel R. Schleder, João B. Souza Junior +5
Understanding the effects of atomic structure modification in hematite photoanodes is essential for the rational design of high-efficiency functionalizations. Recently it was found…