Al doped graphene: A promising material for hydrogen storage at room temperature

Abstract

Abstract:A promising material for hydrogen storage at room temperature−Al doped graphene was proposed theoretically by using density functional theory calculation. Hydrogen storage capacity of 5.13 wt% was predicted at T = 300 K and P = 0.1 Gpa with adsorption energy E b = -0.260 eV/H 2 . This is close to the target of 6 wt% and satisfies the requirement of immobilization hydrogen with E b of -0.2 ~ -0.4 eV/H 2 at ambient temperature and modest pressure for commercial applications specified by U.S. Department of Energy. It is believed that the doped Al varies the electronic structures of both C and H 2 . The bands of H 2 overlapping with those of Al and C synchronously are the underlying mechanism of hydrogen storage capacity enhancement.

Synthesis and characterization of activated carbon from jute fibers for hydrogen storage

“…In recent years, the hydrogen storage on metal organic framework's (MOFs) [3,[13][14][15], zeolite's [16,17] and carbon nanotubes [18][19][20][21][22][23][24][25], graphene [26][27][28] and activated carbons (ACs) have been reported in the literature by several groups. Among these ACs have proved to be one of the most promising adsorbent material for storage of hydrogen due to their availability, low cost and with tunable surface area.…”

Applications of Al Modified Graphene on Gas Sensors and Hydrogen Storage

“…However, a recent report claimed that DFT calculations overestimated significantly the binding energy between the H 2 molecules and the Ca +1 cation centers (Cha et al, 2009). On the other hand, Al-doped graphene where one Al atom replaces one C atom of a graphene layer was reported as a promising hydrogen storage material at room temperature with HSC of 5.13 wt % (Ao et al, 2009a). In this work, DFT was applied for studying the hydrogen adsorption on graphene with Al atom adsorption.…”

“…(Reproduced with permission from Ref. (Ao et al, 2009a). Copyright 2009, AIP) 2007) set by DOE although the value of 5.1 wt% of H 2 adsorbed is slightly below the DOE's 6 wt% target.…”

“…The sensitivity of NH 3 ,C O ,a n dH 2 Ou pt o 1 ppb (parts per 10 9 ) was demonstrated, and even the ultimate sensitivity of an individual molecule was suggested for NO 2 . Furthermore, the preliminary works (Ao et al, 2009a) indicated that graphene have promising physisorption properties for hydrogen. With state-of-art computer simulations, it is believed that the properties of condensed matters can be understood at the atomic level.…”

Graphene oxide and lithium amidoborane: a new way to bridge chemical and physical approaches for hydrogen storage

“…are more favored in the gravimetric percentage of hydrogen storage. [14][15][16][17][18][19][20][21][22] Nevertheless, how to technically implement the uniform distribution of metal atoms on the surface of host materials and simultaneously keep their affinity to H 2 molecules is still a grand challenge.…”