Adsorption of formaldehyde molecule on Stone-Wales defected graphene doped with Cr, Mn, and Co: A theoretical study

Computational Materials Science

Volumn 83, Issue , 2014, Pages 398-402

  Zhou, Qingxiao ^a,b   Wang, Chaoyang ^b   Fu, Zhibing ^b   Tang, Yongjian ^b   Zhang, Hong ^a  

^a SICHUAN UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Adsorption; Density functional theory; Graphene; H2CO molecule; Stone Wales defect

Indexed keywords

CO MOLECULE; DEFECTED GRAPHENE; DENSITY FUNCTIONAL THEORY METHODS; DOPED STRUCTURES; ELECTRONIC CONDUCTANCE; STONE-WALES DEFECTS; THEORETICAL STUDY; TRANSITION METAL ATOMS;

ADSORPTION; ATOMS; BINDING ENERGY; DEFECTS; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; MANGANESE; MOLECULES; POINT DEFECTS; SENSORS; TRANSITION METALS;

GRAPHENE;

EID: 84890507092     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.11.036     Document Type: Article

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