Surface-dependent band structure variations and bond-level deviations in Cu<sub>2</sub>O
Chih‐Shan Tan, Michael H. Huang
Abstract
New DFT calculations revealed notable variations in the band gap, bond length and bond geometry in different planes of Cu 2 O, which helped in understanding its various facet-dependent behaviors.
Topics & Concepts
Bond lengthFacet (psychology)Materials scienceCrystallographyBand gapBondMolecular geometryMolecular physicsChemistryMoleculeOptoelectronicsCrystal structureSocial psychologyPsychologyOrganic chemistryFinancePersonalityEconomicsBig Five personality traitsCopper-based nanomaterials and applicationsZnO doping and propertiesElectronic and Structural Properties of Oxides