Toward CH4 dissociation and C diffusion during NiFe-catalyzed carbon nanofiber growth: A density functional theory study

Journal of Chemical Physics

Volumn 134, Issue 13, 2011, Pages

  Fan, Chen ^a   Zhou, Xing Gui ^a   Chen, De ^b   Cheng, Hong Ye ^a   Zhu, Yi An ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BULK ALLOYS; BULK METALS; BULK MODEL; CATALYST PARTICLES; CATALYST SURFACES; CRYSTALLINE STRUCTURE; D-BAND CENTERS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIMER METHOD; EXPERIMENTAL CONDITIONS; FE CONTENT; FIRST-PRINCIPLES CALCULATION; KINETIC ANALYSIS; MOLAR RATIO; NI SURFACE; NIFE ALLOYS; REACTION TEMPERATURE; TRANSITION STATE; XRD PATTERNS;

ACTIVATION ENERGY; CALCULATIONS; CARBON NANOFIBERS; CATALYSIS; CATALYSTS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DIFFUSION; DISSOCIATION; DISSOLUTION; X RAY DIFFRACTION;

IRON ALLOYS;

EID: 79954548258     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3575193     Document Type: Article

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