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We present electronic structure calculations based on a single-parameter plane wave expansion method for molecular nanostructures revealing excellent agreement with density functional theory and predicting metallic bands for chevron molecular… Click to show full abstract
We present electronic structure calculations based on a single-parameter plane wave expansion method for molecular nanostructures revealing excellent agreement with density functional theory and predicting metallic bands for chevron molecular dimers.
Keywords:
bands chevron;
type polyacenes;
chevron type;
metallic bands
Journal Title: RSC Advances
Year Published: 2020
Link to full text (if available)
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Journal Title: RSC Advances
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!