Journal Pre-proof Hydrogen storage in Na-decorated H4,4,4-graphyne: A density functional theory and Monte Carlo study Yunhui Wang, Qiang Wu, Shuixin Deng, Rui Ma, Xin Huang, Lan Bi, Zhihong Yang PII: S0169-4332(19)32418-3 DOI: https://doi.org/10.1016/j.apsusc.2019.143621 Reference: APSUSC 143621 To appear in: Applied Surface Science Received date: 21 June 2019 Revised date: 1 August 2019 Accepted date: 8 August 2019 Please cite this article as: Y. Wang, Q. Wu, S. Deng, et al., Hydrogen storage in Na- decorated H4,4,4-graphyne: A density functional theory and Monte Carlo study, Applied Surface Science(2019), https://doi.org/10.1016/j.apsusc.2019.143621 This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. © 2019 Published by Elsevier.