First-principles analysis of defect-mediated Li adsorption on graphene

ACS Applied Materials and Interfaces

Volumn 6, Issue 23, 2014, Pages 21141-21150

  Yildirim, Handan ^a   Kinaci, Alper ^b   Zhao, Zhi Jian ^a   Chan, Maria K Y ^b   Greeley, Jeffrey P ^a  

^a PURDUE UNIVERSITY   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

defects; density functional theory; genetic algorithm; graphene; lithium ion battery; van der Waals interactions

Indexed keywords

ADSORPTION; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIGITAL STORAGE; ELECTRODES; GENETIC ALGORITHMS; GRAPHENE; IONS; LITHIUM-ION BATTERIES; THERMOANALYSIS; VAN DER WAALS FORCES;

ADSORBATE INTERACTIONS; DEFECT ENGINEERING; FUNDAMENTAL PHYSICS; INTERACTION STRENGTH; POINT AND EXTENDED DEFECTS; STONE-WALES DEFECTS; THERMO DYNAMIC ANALYSIS; VAN DER WAALS INTERACTIONS;

DEFECTS;

EID: 84917707390     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am506008w     Document Type: Article

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