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cond-mat.mtrl-sci2026
Beyond Hexagonal Boron Nitride: First-Principles Study of Pentaoctite-BN and Pop-BN Monolayers
Victor M. S. da Conceição, Erika N. Lima, Roberto H. Miwa +1
We investigate two novel non-hexagonal boron nitride monolayers, pentaoctite-BN (PO-BN) and pop-BN (PP-BN), using first-principles calculations. Their structural, electronic, mecha…
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…