Theoretical Prediction of CH<sub>n</sub> Crystal Structures under High Pressures

Theoretical Prediction of CH<sub>n</sub> Crystal Structures under High Pressures

CH<sub>n</sub> is the precursor unit for graphene synthesis. We have theoretically predicated a series of CH<sub>n</sub> structures with n = 1, 2, 4, 6, 8, 10, and 12 at elevated pressures (ambient pressure, 50, 100, 200, 300, 350, and 400 GPa) using evolutionary algorithms....

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Bibliographic Details
Main Authors: Tao Yang, Jinjia Liu, Xiaotong Liu, Xiulei Liu, Ning Li
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Crystals
Subjects:
CH<sub>n</sub> crystal
evolutionary algorithms
high pressure
Online Access:https://www.mdpi.com/2073-4352/11/12/1499

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