Hydrogen Storage on Graphene Sheet: Physisorption, Diffusion and Chemisorbed Pathways by First Principles Calculations / Magazynowanie Wodoru Na Arkuszu Grafenu: Analiza Ścieżek Fizykosorpcji, Dyfuzji I Chemisorpcji Metodą Obliczeń Ab Initio

Archives of Metallurgy and Materials

P.L. Silvestrelli¹  F. Ancilotto¹  F. Costanzo¹ 

[1] DIPARTIMENTO DI FISICA, UNIVERSIT? DI PADOVA, VIA MARZOLO 8, I-35131 PADOVA, ITALY, AND DEMOCRITOS NATIONAL SIMULATION CENTER, TRIESTE, ITALY

关键词: Keywords: Density functional theory;    first principles;    physisorption and chemisorption;   

DOI  :  10.2478/v10172-012-0119-z

学科分类：金属与冶金

来源: Akademia Gorniczo-Hutnicza im. Stanislawa Staszica / University of Mining and Metallurgy

【 摘 要 】

Hydrogen is frequently touted as the “fuel of the future” because of its huge potential as clean energy source, although the large-scale adoption of this technology has yet to be realized. One of the remaining barriers to the utilization of hydrogen energy is an efficient and inexpensive means of hydrogen storage. In this work we investigate the nature of this process by first principle calculation.

【 授权许可】

Unknown