Transformation from ultradense/ultrahard/weakly-metallic sql-C6 to dense/superhard/insulating Diamond-like dia-C8 inscribed in a series of “C4+2m” allotropes (m: odd or even integer); Crystal Chemistry and DFT investigations

IF 10.5 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Progress in Solid State Chemistry Pub Date : 2026-02-01 Epub Date: 2026-02-05 DOI:10.1016/j.progsolidstchem.2026.100573

Samir F. Matar

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引用次数: 0

Abstract

In the orthorhombic system, starting from inserting carbon into ultra-dense/ultrahard/metastable/metallic novel C₆ with distorted C4 tetrahedra, a dense/superhard/stable/insulating C₈, with regular C4 tetrahedra was found and characterized with properties close to Diamond. Such C₆→ C₈ transformation was then inscribed within an original protocol establishing systematics in “C_4+2m” 3D stoichiometries in relation with Diamond, featuring regular tetrahedra/versus distorted tetrahedra allotropes, where m is an odd or even integer. Odd m values lead to superdense, ultrahard, metastable C₆, C₁₀, C₁₄ whereas m even values give superhard Diamond-like stable C₄, C₈, C₁₂. The obtained dia-C₄, sql-C₆, dia-C₈, 4²T1164-HZ C₁₀, dia-C₁₂ sequence alternates from one type to the other with increasing amounts of carbon. Such findings are proposed as a holistic vision of carbon allotropes characterized by exceptional mechanical and electronic properties.

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从超致密/超硬/弱金属的sql-C6到致密/超硬/绝缘的“C4+2m”同素异形体（m：奇数或偶数）镶嵌的类金刚石dia-C8；晶体化学和DFT研究

在正交体系中，从将碳插入到具有扭曲C4四面体的超致密/超硬/亚稳/金属新型C6中开始，发现了具有规则C4四面体的致密/超硬/稳定/绝缘C8，并具有接近金刚石的性能。这样的C6→C8变换随后被写入与Diamond相关的“C4+2m”3D化学计量学系统建立的原始协议中，具有正四面体/与扭曲四面体同素异形体，其中m是奇数或偶数整数。奇数m值产生超致密、超硬、亚稳的C6、C10、C14，而偶数m值产生超硬、稳定的类金刚石C4、C8、C12。得到的dia-C4、sql-C6、dia-C8、42T1164-HZ、C10、dia-C12序列随着碳量的增加从一种类型交替到另一种类型。这些发现被提出作为碳同素异形体的整体愿景，其特点是特殊的机械和电子特性。

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来源期刊

Progress in Solid State Chemistry 化学-无机化学与核化学

CiteScore

14.10

自引率

3.30%

发文量

期刊介绍： Progress in Solid State Chemistry offers critical reviews and specialized articles written by leading experts in the field, providing a comprehensive view of solid-state chemistry. It addresses the challenge of dispersed literature by offering up-to-date assessments of research progress and recent developments. Emphasis is placed on the relationship between physical properties and structural chemistry, particularly imperfections like vacancies and dislocations. The reviews published in Progress in Solid State Chemistry emphasize critical evaluation of the field, along with indications of current problems and future directions. Papers are not intended to be bibliographic in nature but rather to inform a broad range of readers in an inherently multidisciplinary field by providing expert treatises oriented both towards specialists in different areas of the solid state and towards nonspecialists. The authorship is international, and the subject matter will be of interest to chemists, materials scientists, physicists, metallurgists, crystallographers, ceramists, and engineers interested in the solid state.