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New DFT calculations revealed notable variations in the band gap, bond length and bond geometry in different planes of Cu2O, which helped in understanding its various facet-dependent behaviors. Click to show full abstract
New DFT calculations revealed notable variations in the band gap, bond length and bond geometry in different planes of Cu2O, which helped in understanding its various facet-dependent behaviors.
Keywords:
dependent band;
bond;
structure variations;
variations bond;
surface dependent;
band structure
Journal Title: Inorganic Chemistry Frontiers
Year Published: 2021
Link to full text (if available)
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Journal Title: Inorganic Chemistry Frontiers
Year Published: 2021
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!