Nitrogen concentration influence on N-NaTaO3 from first principles

Materials Research Express

Volumn 1, Issue 2, 2014, Pages

  Shi, Haifeng ^a,b   Lan, Benyue ^a   Zhang, Chengliang ^a   Zhou, Changping ^a   Zhang, Xudong ^c  

^a JIANGNAN UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

^c SHENYANG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Electronic structure; Nitrogen doping; Sodium tantalate

Indexed keywords

BAND STRUCTURE; CALCULATIONS; CHEMICAL BONDS; DOPING (ADDITIVES); ELECTRONEGATIVITY; ELECTRONIC STRUCTURE; PHOTOCATALYTIC ACTIVITY; SODIUM COMPOUNDS; TANTALUM COMPOUNDS;

ELECTRONIC STRUCTURE CALCULATIONS; FIRST PRINCIPLES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; MULTIMETAL OXIDE; NITROGEN CONCENTRATIONS; NITROGEN-DOPED; NITROGEN-DOPING; VISIBLE-LIGHT RESPONSE;

DENSITY FUNCTIONAL THEORY;

EID: 84951981397     PISSN: None     EISSN: 20531591     Source Type: Journal    
DOI: 10.1088/2053-1591/1/2/025506     Document Type: Article

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