Hydrogen Storage Performance of Preferentially Oriented Mg/rGO Hybrids

Dun, Chaochao; Jeong, Sohee; Kwon, Deok-Hwang; Kang, ShinYoung; Stavila, Vitalie; Zhang, Zhuolei; Lee, Joo-Won; Mattox, Tracy M.; Heo, Tae Wook; Wood, Brandon C.; Urban, Jeffrey J.

doi:10.1021/acs.chemmater.1c03714

Hydrogen Storage Performance of Preferentially Oriented Mg/rGO Hybrids

Journal Article · Mon Mar 14 04:00:00 EDT 2022 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c03714· OSTI ID:1855812

^[1]; Jeong, Sohee ^[2]; Kwon, Deok-Hwang ^[3]; ^[4]; ^[5]; Zhang, Zhuolei ^[1]; ^[6]; Mattox, Tracy M. ^[1]; ^[4]; Wood, Brandon C. ^[4]; ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Korea Inst. of Science and Technology, Seoul (South Korea)
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Korea Inst. of Science and Technology, Seoul (South Korea)

Chemical interactions on the surface of a functional nanoparticle are closely related to its crystal facets, which can regulate the corresponding energy storage properties like hydrogen absorption. In this study, we reported a one-step growth of magnesium (Mg) particles with both close- and nonclose-packed facets, that is, {0001} and {$$2\overline{116}$$} planes, on atomically thin reduced graphene oxide (rGO). The detailed microstructures of Mg/rGO hybrids were revealed by X-ray diffraction, selected-area electron diffraction, high-resolution transmission electron microscopy, and fast Fourier transform analysis. Hydrogen storage performance of Mg/rGO hybrids with different orientations varies: Mg with preferential high-index {$$2\overline{116}$$} crystal surface shows remarkably increased hydrogen absorption up to 6.2 wt % compared with the system exposing no preferentially oriented crystal surfaces showing inferior performance of 5.1 wt % within the first 2 h. First-principles calculations revealed improved hydrogen sorption properties on the {$$2\overline{116}$$} surface with a lower hydrogen dissociation energy barrier and higher stability of hydrogen atoms than those on the {0001} basal plane, supporting the hydrogen uptake experiment. In addition, the hydrogen penetration energy barrier is found to be much lower than that of {0001} because of low surface atom packing density, which might be the most critical process to the hydrogenation kinetics. Here, the experimental and calculation results present a new handle for regulating the hydrogen storage of metal hydrides by controlled Mg facets.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0003525

OSTI ID:: 1855812

Alternate ID(s):: OSTI ID: 1856787
OSTI ID: 1871776

Report Number(s):: SAND2022-2753J; 704024

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 7 Vol. 34; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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