The Journal of chemical physics
Diverse carbon units in high-pressure C-K system predicted from first-principles and machine-learning methods.
Qing Lu, Zhongwei Zhang, Yijie Zhu, Chi Ding, Xiaomeng Wang, Junjie Wang, Yu Han, Jian Sun
Published: 202510.1063/5.0310376
Abstract
Metal-carbon compounds are significant for their diverse carbon units, which exhibit distinctive electronic and bonding properties, and broad application potential. In this article, we present a detailed C-K phase diagram, constructed using the cryst…
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