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Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.035418
Abstract: Using density-functional theory calculations, the atomic and electronic structure of single-layer WS_2 attached to Zr and Co contacts are determined. Both metals form stable interfaces that are promising as contacts for injection of n-type carriers…
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Keywords:
transport properties;
abinitio simulation;
structure transport;
transport ... See more keywords