3 papers
cond-mat.mtrl-sci2026
Descriptor-Based Classification of Interfacial Electronic Coupling in Janus XP3-Based 2D Heterostructures
Erika N. Lima, Teldo A. S. Pereira, Elisangela S. Barboza +2
Understanding and controlling interfacial electronic coupling in two-dimensional (2D) heterostructures is essential for designing functional materials for electronic, optoelectroni…
cond-mat.mtrl-sci2025
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…
cond-mat.mes-hall2024
Group-IV Pentaoctite: A New 2D Material Family
Vanessa D. Kegler, Igor S. S. de Oliveira, Dominike Pacine +3
This study investigates the structural, mechanical, and electronic properties of novel two-dimensional (2D) pentaoctite (PO) monolayers composed of group-IV elements (PO-C, PO-Si,…