Unraveling Structural Models of Graphite Fluorides by Density Functional Theory Calculations

Abstract

Sang SooHan,* Ted H. Yu, Boris V.Merinov, Adri C. T. vanDuin, Rachid Yazami, and William A. Goddard, III* Materials and Process Simulation Center (MC 139-74), California Institute of Technology, Pasadena, California 91125, Center for Materials Measurement, Korea Research Institute of Standards and Science, 209 Gajeong-Ro, Yuseong-Gu, Daejeon 305-340… (More)

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Cite this paper

@inproceedings{SooHan2010UnravelingSM, title={Unraveling Structural Models of Graphite Fluorides by Density Functional Theory Calculations}, author={Sang SooHan and Ted H. Yu and Boris V.Merinov and Adri C. T. vanDuin and Rachid Yazami and William A. Goddard}, year={2010} }