Hazardous doping for photo-electrochemical conversion: The case of Nb-doped Fe2O3 from first principles

Molecules

Volumn 20, Issue 11, 2015, Pages 19900-19906

  Yatom, Natav ^a   Toroker, Maytal Caspary ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

Density functional theory; DFT+U; Doping; Iron oxides; Water splitting

Indexed keywords

FERRIC ION; NIOBIUM;

CHEMISTRY; ELECTROCHEMISTRY; PHOTOCHEMISTRY; THEORETICAL MODEL;

ELECTROCHEMISTRY; FERRIC COMPOUNDS; MODELS, THEORETICAL; NIOBIUM; PHOTOCHEMISTRY;

EID: 84949946722     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules201119668     Document Type: Article

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