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• W4247105412 abstract "Abstract Based on density-functional calculations, interfacial reconstruction and structural transition at diamond(111)/M/copper (M = Ag, Cu, Ni, Co) interfaces are studied by analyzing the atomistic structures of the interfaces. Tuning the strength of chemical bonds across the interfacial plane (out-of-plane), we show that interfacial reconstruction happens as a result of competition between the out-of-plane chemical bonds and the in-plane bonds within the diamond substrate. A relatively weak out-of-plane bond may easily lead to reconstruction of interfacial structures. A structural transition from one-dangling-bond- to three-dangling-bond-terminated interface is also observed as the out-of-plane bond is sufficiently strong, which leads to a dramatic enhancement of the adhesion of the interface." @default.
• W4247105412 created "2022-05-12" @default.
• W4247105412 creator A5014726262 @default.
• W4247105412 date "2006-06-01" @default.
• W4247105412 modified "2023-09-26" @default.
• W4247105412 title "Reconstruction and structural transition at metal/diamond interfaces" @default.
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• W4247105412 doi "https://doi.org/10.1515/ijmr-2006-0123" @default.
• W4247105412 hasPublicationYear "2006" @default.
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