scholarly journals Amphoteric behavior of hydrogen (H+1 and H−1) in complex hydrides from van der Waals interaction-including ab initio calculations

2019 ◽  
Vol 7 (11) ◽  
pp. 6228-6240 ◽  
Author(s):  
S. Kiruthika ◽  
H. Fjellvåg ◽  
P. Ravindran
Keyword(s):  
Hydrogen Storage ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Storage Capacity ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
Hydrogen Ions ◽  
Simultaneous Presence ◽  
Hydrogen Storage Capacity ◽  
Complex Hydrides

The simultaneous presence of positively and negatively charged hydrogen ions in the same structure improves the volumetric hydrogen storage capacity.

scholarly journals Exploration of the NH3–H2 van der Waals interaction by high level ab initio calculations

2008 ◽  
Vol 346 (1-3) ◽  
pp. 237-246 ◽  
Author(s):  
Mirjana Mladenović ◽  
Marius Lewerenz ◽  
Geraldine Cilpa ◽  
Pavel Rosmus ◽  
Gilberte Chambaud
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
High Level

Ab initio study of the structures and hydrogen storage capacity of (H2)nCH4 compound

2015 ◽  
Vol 29 (13) ◽  
pp. 1550062 ◽  
Author(s):  
Minghui Wang ◽  
Xinlu Cheng ◽  
Dahua Ren ◽  
Hong Zhang ◽  
Yongjian Tang
Keyword(s):  
Boron Nitride ◽  
Hydrogen Storage ◽  
Ab Initio ◽  
Density Functional ◽  
Storage Capacity ◽  
Hexagonal Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Hydrogen Storage Capacity ◽  
Practical Applications ◽  
The Stability

The hydrogen-rich compound ( H 2)n CH 4 (for n = 1, 2, 3, 4) or for short ( H 2)n M is one of the most promising hydrogen storage materials. The ( H 2)4 M molecule is the best hydrogen-rich compound among the ( H 2)n M structures and it can reach the hydrogen storage capacity of 50.2 wt.%. However, the ( H 2)n M always requires a certain pressure to remain stable. In this work, we first investigated the binding energy of the different structures in ( H 2)n M and energy barrier of H 2 rotation under different pressures at ambient temperature, applying ab initio methods based on van der Waals density functional (vdW-DF). It was found that at 0 GPa, the ( H 2)n M is not stable, while at 5.8 GPa, the stability of ( H 2)n M strongly depends on its structure. We further investigate the Raman spectra of ( H 2)n M structures at 5.8 GPa and found the results were consistent with experiments. Excitingly, we found that boron nitride nanotubes (BNNTs) and graphite and hexagonal boron nitride ( h - BN ) can be used to store ( H 2)4 M , which give insights into hydrogen storage practical applications.

scholarly journals Correction: Cigarette butt-derived carbons have ultra-high surface area and unprecedented hydrogen storage capacity

2021 ◽  
Author(s):  
L. Scott Blankenship
Keyword(s):  
Hydrogen Storage ◽  
Surface Area ◽  
Storage Capacity ◽  
High Surface ◽  
High Surface Area ◽  
Hydrogen Storage Capacity ◽  
Cigarette Butt ◽  
Energy Environ

Correction for ‘Cigarette butt-derived carbons have ultra-high surface area and unprecedented hydrogen storage capacity’ by L. Scott Blankenship et al., Energy Environ. Sci., 2017, 10, 2552–2562, DOI: 10.1039/C7EE02616A.

scholarly journals Enabling Storage and Utilization of Low-Carbon Electricity: Power to Formic Acid

2021 ◽  
Author(s):  
Kuo-Wei Huang ◽  
Sudipta Chatterjee ◽  
Indranil Dutta ◽  
Yanwei Lum ◽  
Zhiping Lai
Keyword(s):  
Hydrogen Storage ◽  
Formic Acid ◽  
Storage Capacity ◽  
Energy Carrier ◽  
Hydrogen Energy ◽  
Low Carbon ◽  
Hydrogen Storage Capacity ◽  
Electricity Power ◽  
Low Toxicity

Formic acid has been proposed as a hydrogen energy carrier because of its many desirable properties, such as low toxicity and flammability, and a high volumetric hydrogen storage capacity of...

Sign in / Sign up

Export Citation Format

Share Document