# Enhancement of interfacial thermal conductance by introducing carbon vacancy at the Cu/diamond interface

https://mdr.nims.go.jp/datasets/225ea149-a6e9-4936-bbfb-1eb6f5c088d4

## File

- [manuscript-20240216 R3.docx](https://mdr.nims.go.jp/filesets/2bc6ce7e-5542-408a-be63-12e8008311eb/download) ([Detail](https://mdr.nims.go.jp/filesets/2bc6ce7e-5542-408a-be63-12e8008311eb.md))

## Id

225ea149-a6e9-4936-bbfb-1eb6f5c088d4

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-08-09T12:02:21.579501Z

## Updated at

2026-03-06T07:30:04.622778Z

## Published at

2026-03-06T03:58:03.379898Z

## Doi

https://doi.org/10.48505/nims.4667

## First published url

https://doi.org/10.1016/j.carbon.2024.119021

## Date published

2024-03-05

## Recorded date published

2024-4

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Enhancement of interfacial thermal conductance by introducing carbon vacancy
    at the Cu/diamond interface
  title_type: original
  lang: en

## Description

- description: Effective heat dissipation of semiconductor devices is crucial for
    their extended lifespan and operational stability, and the interface of semiconductors
    provides an effective window for thermal design and management. In this work,
    we have systematically investigated the effect of the carbon vacancy on the thermal
    conductivity of diamond and the interface thermal conductance (ITC) of Cu/diamond
    by using both first-principles calculation and molecular dynamics methods. Although
    the carbon vacancy leads to a decrease in the thermal conductivity of diamond,
    a marked increase in ITC from 37.98 MWm-2K-1 to about 177 MWm-2K-1 for diamond
    (1 1 1)plane and from 78.8 MWm-2K-1 to about 241 MW/m -2K-1 for diamond (0 0 1)
    plane is observed between Cu and diamond with carbon vacancy. The increase of
    the ITC is mainly due to the anharmonic phonon scattering, revealed by the phonon
    density of states and phonon participation ratio.
  description_type: abstract
  lang: und

## Creator

- name: Kongping Wu
  role: author
- name: Leng Zhang
  role: author
- name: Fangzhen Li
  role: author
- name: Liwen Sang
  role: author
  orcid: https://orcid.org/0000-0003-0946-1025
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Meiyong Liao
  role: author
  orcid: https://orcid.org/0000-0003-1361-4266
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Kun Tang
  role: author
- name: Jiandong Ye
  role: author
- name: Shulin Gu
  role: author

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: Diamond, thermal conductivity, Cu
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by-nc-nd/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-03-05
end_date: 2026-03-06

## Journal

- title: Carbon
  issn: '00086223'
  volume: '223'
  article_number: '119021'

## Conference



## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Custom property



## Fileset

- id: 2bc6ce7e-5542-408a-be63-12e8008311eb
  filename: manuscript-20240216 R3.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 2189155
  md5: 1b8c3f4d0b0a2b68bec9d27e586fd7ba

## Thumbnail

fileset_id: 2bc6ce7e-5542-408a-be63-12e8008311eb
filename: manuscript-20240216 R3.docx