Work

Strong Screening Effect on Radial Polarization of Metallic NbS 2 Nanoscrolls

Year: 2026

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide The energetics and electronic structure of NbS 2 nanoscrolls were examined by using density functional theory. The NbS 2 nanoscrolls with an unrolled length of 22.7 nm are energetically more stable than the corresponding NbS 2 nanoribbons because of substantial van der Waals interactions between adjacent shells that are enough to compensate for the energy cost of curvature. Among all of the nanoscrolls studied here, the nanoscroll with an innermost radius of 1.5 nm is the most stable. NbS 2 nanoscrolls are metals with a large density of states at the Fermi level, resulting in a strong field screening ability. The electronic structure of NbS 2 nanoscrolls is remarkably insensitive to scroll geometry and atomic position because of the screening ability of the internal electric field induced by the curvature.

Source: ACS Omega

DOI: 10.1021/acsomega.5c10770

Authors: Yanlin Gao, Mina Maruyama, Susumu Okada

Institution: University of Tsukuba

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,935

Funders: Japan Society for the Promotion of Science, Japan Science and Technology Agency, Institute of Advanced Energy, Kyoto University, Core Research for Evolutional Science and Technology