journal article·2026-01-06Open access

The properties, thermodynamics and application prospects of diamanes

Pavel B. Sorokin, Boris I. Yakobson

npj Computational Materials· Volume 12· Issue 1

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.
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Research context

OpenAlex topics: Boron and Carbon Nanomaterials Research · Graphene research and applications · Electrocatalysts for Energy Conversion

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