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<p>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.</p>

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The properties, thermodynamics and application prospects of diamanes

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年1月6日

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  • Pavel B. Sorokin,
  • Boris I. Yakobson

摘要

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.