Stability and electronic structure of iron nanoparticle anchored on defective hexagonal boron nitrogen nanosheet: A first-principle study

Applied Surface Science

Volumn 320, Issue , 2014, Pages 237-243

  Lin, Sen ^a   Huang, Jing ^a   Ye, Xinxin ^a  

^a FUZHOU UNIVERSITY   (China)

Author keywords

d Band center; Defective hexagonal boron nitrogen; Density of state; First principle DFT; Iron nanoparticle; nanosheet

Indexed keywords

ATOMS; BORON; CATALYSIS; DANGLING BONDS; DEFECT DENSITY; DESIGN FOR TESTABILITY; ELECTRONIC STRUCTURE; INTERFACES (MATERIALS); IRON; NANOPARTICLES; NANOSHEETS; NITROGEN; SINTERING;

CHARGE REDISTRIBUTION; CHARGE-DENSITY ANALYSIS; D-BAND CENTERS; DENSITY OF STATE; FIRST PRINCIPLE METHOD; FIRST PRINCIPLES; FIRST-PRINCIPLE STUDY; IRON NANOPARTICLES;

SYNTHESIS (CHEMICAL);

EID: 84919386328     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.09.098     Document Type: Article

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