Work

The properties, thermodynamics and application prospects of diamanes

Year: 2026

Type: article

Abstract: Diamane, a two-dimensional diamond-like carbon phase, illustrates how computational materials science can anticipate structures and transformations later verified experimentally. This Perspective summarizes theoretical predictions and experimental observations of its stability, chemically driven diamondization, and property modulation through functionalization and orientation. We highlight how atomistic simulations refine the understanding of formation pathways and guide potential applications in electronics, photonics, and energy systems.

Source: npj Computational Materials

DOI: 10.1038/s41524-025-01935-5

Authors: Pavel B. Sorokin, Boris I. Yakobson

Institutions: National University of Science and Technology, Rice University

Language: English

Topic: Diamond and Carbon-based Materials Research

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,490

Funders: U.S. Department of Energy, Russian Science Foundation, Office of Naval Research