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Related Experiment Video

Updated: May 24, 2026

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway

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Published on: March 7, 2022

Lowest enthalpy polymorph of cold-compressed graphite phase.

Da Li¹, Kuo Bao, Fubo Tian

¹State Key Lab of Superhard Materials, College of Physics, Jilin University, Changchun, PR China.

Physical Chemistry Chemical Physics : PCCP

|February 24, 2012

Summary

This summary is machine-generated.

Researchers predict a new carbon allotrope, C carbon, using an evolutionary algorithm. This novel material exhibits orthorhombic Cmcm symmetry and is the most stable phase among cold-compressed graphite forms.

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Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials

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Published on: May 15, 2015

Area of Science:

Materials Science
Computational Chemistry
Solid-State Physics

Background:

Graphite is a common carbon allotrope, but its behavior under cold compression is not fully understood.
Previous studies have proposed various carbon phases under high pressure, but their stability remains debated.

Purpose of the Study:

To predict and characterize a new, stable carbon polymorph under cold compression.
To investigate the structural and energetic properties of novel carbon phases.

Main Methods:

Utilizing an ab initio evolutionary algorithm for structure prediction.
Employing density functional theory calculations to determine material stability.

Main Results:

A novel carbon polymorph, designated as C carbon, with orthorhombic Cmcm symmetry was successfully predicted.
C carbon exhibits the lowest enthalpy compared to previously proposed cold-compressed graphite phases, indicating its high stability.

Conclusions:

The discovery of C carbon expands our understanding of carbon allotropes under extreme conditions.
This finding provides a new stable phase for potential applications in materials science.