36 citations · 48 across the 8 of their papers we have counts for
5 papers · 1 filter
First-principles study of metal-biphenylene interfaces: structural, electronic, and catalytic properties
Maicon P. Lebre, Dominike Pacine, Erika N. Lima +2
We employ first-principles density functional theory (DFT) calculations to investigate the structural, electronic, and catalytic properties of biphenylene supported on various meta…
Unveiling the electronic properties of BiP triphosphide from bulk to graphene-based heterostructure by first-principles calculations
Dominike P. de Andrade Deus, Igor S. S. de Oliveira, Roberto Hiroki Miwa +1
Triphosphides, with a chemical formula of XP (X is a group IIIA, IVA, or VA element), have recently attracted much attention due to their great potential in several application…
Magnetic and Electronic Switch in Metal Intercalated Two-Dimensional GeP
D. P. de A. Deus, I. S. S. de Oliveira, J. B. Oliveira +2
Intercalation of foreign atoms in two dimensional hosts has been considered a quite promising route in order to engineer the electronic, and magnetic properties in 2D plataforms. I…
An ab initio investigation of BiSe topological insulator deposited on amorphous SiO
I. S. S. de Oliveira, W. L. Scopel, R. H. Miwa
We use first-principles simulations to investigate the topological properties of BiSe thin films deposited on amorphous SiO2, BiSe/a-SiO, which is a promising s…
Pyridine intercalated BiSe heterostructures: controlling the topologically protected states
I. S. S. de Oliveira, R. H. Miwa
We use ab initio simulations to investigate the incorporation of pyridine molecules (CHN) in the van der Waals gaps of BiSe. The intercalated pyridine molecules inc…