Atomic Structure, Stability, Raman Modes, and Electronic Properties of Quantum-Confined One-Dimensional Lepidocrocite Titanate and Water: A First-Principles Study.

ABSTRACT: Quantum-confined, one-dimensional, 1D, lepidocrocite (1DL) titania nanofilaments are a recently discovered polymorph of TiO₂ that holds great promise for various applications, including photocatalysis, water purification, dye degradation, and energy storage. These exceptional functionalities originate from 1DL's unique atomic structure and diverse self-assembling morphologies, which are still under active investigation. Current understanding focuses on the atomic structure along the 1DL [100] growth direction, indicating that it shares a backbone atomic structure typical of two-dimensional lepidocrocite, 2DL, titania but exhibits significantly greater length along [100]. What has remained elusive is what the minimal achievable width along the [001] direction and why the 1DLs, de

SUBMITTER: Liu Y 

PROVIDER: S-EPMC12917683 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature