Thursday, March 13, 2014

Engineering electronic properties of layered transition-metal dichalcogenide compounds through alloying

Nanoscale , 2014, Accepted Manuscript

DOI: 10.1039/C4NR00177J, Paper

Alex Kutana, Evgeni S Penev, Boris I Yakobson

Binary alloys present a promising venue for band gap engineering and tuning of other mechanical and electronic properties of materials. Here we use the density-functional theory and cluster expansion to...

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