The topology impact on hydrogen storage capacity of Sc-decorated ever-increasing porous graphene

2020 ◽  
Vol 26 (5) ◽  
Author(s):  
Fatemeh Yasareh ◽  
Ali Kazempour ◽  
Reza Behjatmanesh-Ardakani
Keyword(s):  
Hydrogen Storage ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
Porous Graphene

scholarly journals Scandium Decoration of Boron Doped Porous Graphene for High-Capacity Hydrogen Storage

Molecules ◽  
2019 ◽  
Vol 24 (13) ◽  
pp. 2382 ◽  
Author(s):  
Jing Wang ◽  
Yuhong Chen ◽  
Lihua Yuan ◽  
Meiling Zhang ◽  
Cairong Zhang
Keyword(s):  
Hydrogen Storage ◽  
Adsorption Energy ◽  
Density Functional ◽  
Storage Capacity ◽  
Critical Role ◽  
Orbital Interaction ◽  
Hydrogen Storage Capacity ◽  
H2 Adsorption ◽  
Porous Graphene ◽  
Boron Carbon

The hydrogen storage properties of the Scandium (Sc) atom modified Boron (B) doped porous graphene (PG) system were studied based on the density functional theory (DFT). For a single Sc atom, the most stable adsorption position on B-PG is the boron-carbon hexagon center after doping with the B atom. The corresponding adsorption energy of Sc atoms was −4.004 eV. Meanwhile, five H2 molecules could be adsorbed around a Sc atom with the average adsorption energy of −0.515 eV/H2. Analyzing the density of states (DOS) and the charge population of the system, the adsorption of H2 molecules in Sc-B/PG system is mainly attributed to an orbital interaction between H and Sc atoms. For the H2 adsorption, the Coulomb attraction between H2 molecules (negatively charged) and Sc atoms (positively charged) also played a critical role. The largest hydrogen storage capacity structure was two Sc atoms located at two sides of the boron-carbon hexagon center in the Sc-B/PG system. Notably, the theoretical hydrogen storage capacity was 9.13 wt.% with an average adsorption energy of −0.225 eV/H2. B doped PG prevents the Sc atom aggregating and improves the hydrogen storage effectively because it can increase the adsorption energy of the Sc atom and H2 molecule.

scholarly journals Hydrogen storage capacity of alkali metal atoms decorated porous graphene

2020 ◽  
Vol 69 (6) ◽  
pp. 068802
Author(s):  
Li-Hua Yuan ◽  
Ji-Jun Gong ◽  
Dao-Bin Wang ◽  
Cai-Rong Zhang ◽  
Mei-Ling Zhang ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Hydrogen Storage ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
Porous Graphene ◽  
Metal Atoms

Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation

2018 ◽  
Vol 434 ◽  
pp. 843-849 ◽  
Author(s):  
Lihua Yuan ◽  
Long Kang ◽  
Yuhong Chen ◽  
Daobin Wang ◽  
Jijun Gong ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
Porous Graphene

First-principles investigation of hydrogen storage capacity of Y-decorated porous graphene

2017 ◽  
Vol 399 ◽  
pp. 463-468 ◽  
Author(s):  
Lihua Yuan ◽  
Yuhong Chen ◽  
Long Kang ◽  
Cairong Zhang ◽  
Daobin Wang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
Porous Graphene

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...

Devitrification and hydrogen storage capacity of the eutectic Ca72Mg28 metallic glass

2017 ◽  
Vol 725 ◽  
pp. 916-922 ◽  
Author(s):  
K. Saksl ◽  
J. Ďurišin ◽  
D. Balga ◽  
O. Milkovič ◽  
T. Brestovič ◽  
...  
Keyword(s):  
Metallic Glass ◽  
Hydrogen Storage ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity

Mechanochemical synthesis of a Mg-Li-Al-H complex hydride

2009 ◽  
Vol 24 (9) ◽  
pp. 2880-2885 ◽  
Author(s):  
Jing Zhang ◽  
Wei Yan ◽  
Chenguang Bai ◽  
Fusheng Pan
Keyword(s):  
Solid Solution ◽  
Hydrogen Storage ◽  
Storage Capacity ◽  
Raw Materials ◽  
Initial Step ◽  
Hydrogen Atmosphere ◽  
Al Alloy ◽  
Hydrogen Storage Capacity ◽  
Scanning Calorimetry ◽  
Complex Hydride

Mg-Li-Al alloy was prepared by ingot casting and then underwent subsequent reactive ball milling. A Mg-Li-Al-H complex hydride was obtained under a 0.4 MPa hydrogen atmosphere at room temperature, and as high as 10.7 wt% hydrogen storage capacity was achieved, with the peak desorption temperature of the initial step at approximately 65 °C. The evolution of the reaction during milling, as well as the effect of Li/Al ratio in the raw materials on the desorption properties of the hydrides formed, were studied by x-ray diffraction and simultaneous thermogravimetry and differential scanning calorimetry techniques. The results showed that mechanical milling increases the solubility of Li in Mg, leading to the transformation of bcc β(Li) solid solution to hcp α(Mg) solid solution, the latter continues to incorporate Li and Al, which stimulates the formation of Mg-Li-Al-H hydride. A lower Li/Al ratio resulted in faster hydrogen desorption rate and a greater amount of hydrogen released at a low temperature range, but sacrificing total hydrogen storage capacity.

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