A novel two-dimensional material B₂S₃and its structural implication to new carbon and boron nitride allotropes

Abstract

We propose a single layer of B2S3as a new potential 2D material, conceived directly from its existing layered 3D crystal. New 2D BN and graphene allotropes are constructed from B2S3.

Determination of Carrier Polarity in Fowler–Nordheim Tunneling and Evidence of Fermi Level Pinning at the Hexagonal Boron Nitride/Metal Interface

“…Therefore, S and Φ CNL for h-BN are calculated to be 0.30 and 4.7 eV, respectively. Note that χ = 1.2 eV for the bulk case was used in this estimation . Although the χ of h-BN under specific surface conditions has been known to be negative, this is not the case for the present metal/h-BN/metal structure.…”

Asymmetric passivation of edges: a route to make magnetic graphene nanoribbons

“…S1, † all those two adsorption structures become stable aer 3 ps and neither experience serious disruption nor break, although the atoms shied along a perpendicular direction, developing a ripple-like structure like other low dimension materials. 51 The MD simulations demonstrate that the adsorption of CO 2 does not break the stability of ZGNRs at ambient temperature.…”

Hydrogen Peroxide Production on a Carbon Nitride–Boron Nitride‐Reduced Graphene Oxide Hybrid Photocatalyst under Visible Light

“…The work function of rGO is −4.42 eV from the vacuum level (equivalent to −0.08 V vs. RHE), which is more positive than the g‐C 3 N 4 /PDI CB (−0.22 V) . The VB level of hexagonal BN is 2.10 V, which is more negative than the g‐C 3 N 4 /PDI VB (2.46 V). This diagram clearly supports the proposed mechanism for the e − transfer to rGO and the h + transfer to BN.…”