Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates

Kwai S. Chan; Michael A. Miller; Wuwei Liang; Carol Ellis-Terrell

doi:10.1080/21663831.2013.866988

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Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates

Original Reports | 更新时间：2026-08-19

- Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates
- Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates
- 材料研究快报（英文） 2014年2卷第2期页码：70-75
- 作者机构：
  
  1. Southwest Research Institute Culebra Road San Antonio,6220
  2. Southwest Research Institute 6220 Culebra Road San Antonio 38 USA,TX782
  3. Math Works 3 Apple Hill Drive Natick
- 作者简介：
- 基金信息：
- DOI：10.1080/21663831.2013.866988
  中图分类号：
- 网络首发：2013-12-06，
  
  纸质出版：2014
- 稿件说明：
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Kwai S. Chan, Michael A. Miller, Wuwei Liang, 等. Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates[J]. 材料研究快报（英文）, 2014,2(2):70-75.

Kwai S. Chan, Michael A. Miller, Wuwei Liang, et al. Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates[J]. Materials Research Letters, 2014, 2(2): 70-75.
Kwai S. Chan, Michael A. Miller, Wuwei Liang, 等. Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates[J]. 材料研究快报（英文）, 2014,2(2):70-75. DOI： 10.1080/21663831.2013.866988.

Kwai S. Chan, Michael A. Miller, Wuwei Liang, et al. Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates[J]. Materials Research Letters, 2014, 2(2): 70-75. DOI： 10.1080/21663831.2013.866988.

摘要

Abstract

computational approach was utilized to design the framework and to identify potential guest atoms for stabilizing nitrogen-substituted carbon and silicon clathrates. Two new series of N-substituted carbon and silicon clathrates compounds were discovered as potential candidate materials. One of the hybrid C\bond N clathrates was successfully synthesized using an industrial arc-melting technique. The theoretical bulk moduli of these N-substituted carbon and silicon clathrates were computed and they are comparable to those of C

and SiC. Some N-substituted carbon clathrates may be suitable for application as hard materials.

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