Engineering the work function of buckled boron α-sheet by lithium adsorption: A first-principles investigation

ACS Applied Materials and Interfaces

Volumn 6, Issue 22, 2014, Pages 19690-19701

  Zheng, Bing ^a   Yu, Hai Tao ^a   Xie, Ying ^a   Lian, Yong Fu ^a  

^a HEILONGJIANG UNIVERSITY   (China)

Author keywords

Binding energy; Buckled boron sheet; Electronic population; Electronic structure; Electrostatic potential; Work function

Indexed keywords

ADATOMS; ADSORPTION; BINDING ENERGY; BORON; BUCKLING; CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTROSTATICS; GRAPHENE; LITHIUM; WORK FUNCTION;

ADSORPTION OF LI; ELECTRODE MATERIAL; ELECTRONIC POPULATION; ELECTROSTATIC POTENTIALS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES INVESTIGATIONS; FUNCTION VARIATION; STRUCTURAL AND ELECTRONIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 84914689372     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am504674p     Document Type: Article

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