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Accelerating discovery of next-generation power electronics materials via high-throughput ab initio screening

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成果类型:
期刊论文
作者:
Chen, Jiashu;Liu, Mingzhu;Liu, Minghui;Wang, Xinzhong*;Su, Yiwen*;...
通讯作者:
Wang, Xinzhong;Su, Yiwen;Zheng, GP
作者机构:
[Su, Yiwen; Wang, Xinzhong; Zheng, Guangping; Chen, Jiashu] Hong Kong Polytech Univ, Res Inst Adv Mfg, Hong Kong, Peoples R China.
[Su, Yiwen; Wang, Xinzhong; Zheng, Guangping; Chen, Jiashu] Hong Kong Polytech Univ, Dept Mech Engn, Hong Kong, Peoples R China.
[Liu, Mingzhu] Hunan Univ, Coll Biol, Changsha, Hunan, Peoples R China.
[Liu, Minghui] Hunan City Univ, Coll Art & Design, Yiyang, Hunan, Peoples R China.
通讯机构:
[Zheng, GP ; Su, YW; Wang, XZ] H
Hong Kong Polytech Univ, Res Inst Adv Mfg, Hong Kong, Peoples R China.
语种:
英文
期刊:
npj Computational Materials
ISSN:
2096-5001
年:
2025
卷:
11
期:
1
基金类别:
Research Grants Council of Hong Kong Special Administrative Region, China [15233823]; Research Grants Council of the Hong Kong Special Administrative Region, China [1-CDJV]; Research Institute for Advanced Manufacturing of the Hong Kong Polytechnic University
机构署名:
本校为其他机构
院系归属:
艺术学院
摘要:
Power electronics (PEs) play a pivotal role in electrical energy conversion and regulation for applications spanning from consumer devices to industrial infrastructure. Wide-bandgap (WBG) semiconductors such as SiC, GaN, and Ga2O3 have emerged as high-performance materials in PEs. Nevertheless, the WBG materials have some limitations that there exists the proliferation of intrinsic defects, with prohibitively high fabrication costs. We identify next-generation PEs materials beyond SiC, GaN, and Ga2O3 based on a high-throughput computational methodology. A massive database affording 153,235 mat...

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