15 citations · 15 across the 1 of their papers we have counts for
4 papers
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…
Bandgap evolution in nanographene assemblies
F. Crasto de Lima, A. Fazzio
Recently cycloarene has been experimentally obtained in a self-assembled structure, forming graphene-like monoatomic layered systems. Here, we establish the bandgap engineering/pre…
Electronic correlations in the semiconducting half-Heusler compound FeVSb
Estiaque H. Shourov, Patrick J. Strohbeen, Dongxue Du +8
Electronic correlations are crucial to the low energy physics of metallic systems with localized and states; however, their effect on band insulators and semiconductors is…
Simulation of XANES spectroscopy and the calculation of total energies for N-heterocyclic carbenes on Au(111)
Felipe Crasto de Lima, Adalberto Fazzio, Alastair B. McLean +1
It has recently been demonstrated that N-heterocyclic carbenes (NHCs) form self-assembled monolayers (SAMs) on metal surfaces. Consequently, it is important to both characterize an…