AA Stacking Phase of Diamane-like Carbon Nitrides: A First Principle Study and Its Thermal Conductivity.

Teerachote Pakornchote, Sakarn Khamkaeo, Annop Ektarawong, Thiti Bovornratanaraks

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Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

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4 authors.

Teerachote PakornchoteExtreme Conditions Physics Research Laboratory and Center of Excellence in Physics of Energy Materials (CE:PEM), Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.

Sakarn KhamkaeoExtreme Conditions Physics Research Laboratory and Center of Excellence in Physics of Energy Materials (CE:PEM), Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.

Annop EktarawongExtreme Conditions Physics Research Laboratory and Center of Excellence in Physics of Energy Materials (CE:PEM), Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.

Thiti BovornratanaraksExtreme Conditions Physics Research Laboratory and Center of Excellence in Physics of Energy Materials (CE:PEM), Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.ORCID https://orcid.org/0000-0001-6943-4032

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Diamond-derived two-dimensional (2D) materials or diamanes show promising properties such as high elastic constants and giant thermal conductivity. We here present a new phase of diamane variants, AA-NCCN, which is a diamane-like structure of two carbon nitride layers in AA-stacking. Its thermal conductivity is higher than that of AB-NCCN, which is an AB-stacking configuration of NCCN, and hydrogenated diamane, computed by the relaxation time approximation (RTA) method. Because the RTA underestimates the thermal conductivity of some 2D materials, we propose that AA-NCCN could be a candidate whose thermal conductivity rivals that of diamond and a coexisting phase with AB-NCCN.

Identifiers

PMID40191348

DOI10.1021/acsomega.4c11181

PMCPMC11966283

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LicenceCC BY-NC-ND

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.