Electronic structure of pure and doped cuprous oxide with copper vacancies: Suppression of trap states

Chemistry of Materials

Volumn 25, Issue 3, 2013, Pages 253-265

  Isseroff, Leah Y ^a   Carter, Emily A ^b  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

Cu2O; density functional theory; doping; photoconductivity; solar energy; trap states; vacancy formation energy

Indexed keywords

ACCEPTOR STATE; CATION VACANCIES; CHARGE DENSITY DISTRIBUTIONS; CUPROUS OXIDE; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY OF STATE; DFT-BASED; DIFFERENT MECHANISMS; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; HYBRID DFT; LI-DOPANTS; LOCALIZED HOLES; MINORITY CARRIER; NATIVE DEFECT; SOLAR ENERGY APPLICATIONS; TRAP STATE; VACANCY FORMATION ENERGIES;

DEFECTS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; LITHIUM; PHOTOCONDUCTIVITY; SOLAR ENERGY;

VACANCIES;

EID: 84873665253     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm3040278     Document Type: Article

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