Physical chemistry chemical physics : PCCP
Atomistic simulation study of diamond doping based on machine learning potential.
Yiheng Yan, Yaochen Yu, Junwei Hu, Xuecheng Sun, Qinlan Luo, Zengyong Chu, Jiayu Dai, Haiyang Niu
Published: 202610.1039/d5cp03568f
Abstract
Diamond is regarded as a highly promising semiconductor material due to its outstanding physical properties. However, achieving efficient p-type and n-type doping remains a significant challenge. In this work, we systematically investigate the B-O an…
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