From the 1 of 4 linked papers with an AI index.
4 papers
Understanding the Oxygen Reduction Reaction and Oxygen Evolution Reaction in Metal Intercalated Biphenylene Bilayers
Henri G. Mendonça, Pedro H. Souza, Walter Orellana +1
We conducted an {\it ab initio} study of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in metal-encapsulated biphenylene bilayers, B/M/B, with M = Ti, V,…
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
The paper uses first‑principles calculations to investigate two newly proposed non‑hexagonal boron nitride monolayers, pentaoctite‑BN and pop‑BN, showing they are metastable yet me…
TCNQ self-assembly driven by molecular coverage over borophene monolayers
G. H. Silvestre, R. H. Miwa
Boron monolayers, also known as borophene, have recently attracted interest due to their electronic properties, e.g. the facility to form various allotropes with interesting proper…
Catenary-like rippled biphenylene/graphene lateral heterojunction
Victor M. S. da C. Dias, Danilo de P. Kuritza, Igor S. S. de Oliveira +2
In this study, we conduct a first-principles analysis to explore the structural and electronic properties of curved biphenylene/graphene lateral junctions (BPN/G). We start our inv…