期刊论文

Yu, JW

英文

Physica Status Solidi-Rapid Research Letters

1862-6254

2024

18

3

2300385-

10.1002/pssr.202300385

This research was supported by the National Natural Science Foundation of China (grant nos. 51575174 and 52205508), Natural Science Foundation of Hunan Province (grant nos. 2020JJ4205 and 2023JJ30147), Key Projects of Hunan Provincial Department of Educati [51575174, 52205508]; National Natural Science Foundation of China [2020JJ4205, 2023JJ30147]; Natural Science Foundation of Hunan Province [21A0018]; Key Projects of Hunan Provincial Department of Education [2023ZK1050]; Technology Research Project in Hunan Province

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The modulation mechanism of iron (Fe) and manganese (Mn) in transition-metal elements on the interface bonding and mechanical properties of bronze (Cu3Sn)-based/diamond composites is investigated through first-principles calculations. Transition-elements-doping scenarios are investigated employing six-layer slab models. It is revealed that the doping of Fe or Mn can make the Cu3Sn/diamond interface more stable, which effectively improves the wettability of the Cu3Sn/diamond interface based on the calculation results and analysis of interface energy, differential charge density model, and densi...