Mechanochemical reactions and hydrogen storage capacities in MBH4–SiS2 systems (M Li or Na)

Eric Majzoub

doi:10.1016/J.IJHYDENE.2019.01.211

Mechanochemical reactions and hydrogen storage capacities in MBH4–SiS2 systems (M Li or Na)

Eric Majzoub

University of Missouri-St. Louis

Research output: Contribution to journal › Article › peer-review

Abstract

<div class="line" id="line-9"> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> The  <a href="https://www.sciencedirect.com/topics/engineering/hydrogen-storage"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> hydrogen storage </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  properties, and phase compositions of mechanochemically prepared mixtures of  <i style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> x <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> MBH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> -SiS <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  ( <i style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> x <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  = 2–8), where M = Li or Na, were investigated using gas  <a href="https://www.sciencedirect.com/topics/chemistry/sorption"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> sorption </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  analysis,  <a href="https://www.sciencedirect.com/topics/chemistry/powder-x-ray-diffraction"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> powder X-ray diffraction </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> , and infrared and  <a href="https://www.sciencedirect.com/topics/chemistry/solid-state-nmr"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> solid-state NMR </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  spectroscopic methods. The 2LiBH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> :1SiS <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  system forms an amorphous product that releases ca. 4.3 wt % of H <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  below 385 °C with a T <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> onset <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  of 88 °C without detectable  <a href="https://www.sciencedirect.com/topics/chemistry/diborane"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> diborane </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  emission. The dehydrogenated sample reversibly absorbs 1.5 wt % of H <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  at 385 °C under 160 bar pressure. The H <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  release from materials with varying LiBH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> :SiS <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  ratios peaks at 8.2 wt % for the 6LiBH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> :1SiS <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  composition, with a reversible hydrogen storage capacity of 2.4 wt %. The H <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>   <a href="https://www.sciencedirect.com/topics/chemistry/desorption"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> desorption </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  capacities of the Li-containing systems surpass those of Na-containing systems. Solid-state NMR studies indicate that products of mechanochemical reactions in the LiBH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <img src="https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/16/entities/sbnd"/> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> SiS <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  system consist of one-dimensional chains of edge-sharing SiS <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4/2 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>   <a href="https://www.sciencedirect.com/topics/chemistry/tetrahedral-crystal"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> tetrahedra </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  in which the non-bridging S-ends are terminated with Li <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> + <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> , which are further coordinated to the [BH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> ] <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> − <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>   <a href="https://www.sciencedirect.com/topics/chemistry/anion"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> anions </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> . A variety of possible  <a href="https://www.sciencedirect.com/topics/engineering/polymorph"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> polymorphs </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  in the Li <img src="https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/16/entities/sbnd"/> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> Si <img src="https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/16/entities/sbnd"/> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> S-(BH <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 13.5px;'> 4 <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> ) composition space have been identified using first principles and  <a href="https://www.sciencedirect.com/topics/materials-science/thermodynamics-modeling"> <span style='color: rgb(12, 125, 187); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'> thermodynamic modeling </a> <span style='color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif; font-size: 18px;'>  that supports the likelihood of formation of such novel complexes. </div>

Original language	American English
Journal	International Journal of Hydrogen Energy
DOIs	https://doi.org/10.1016/J.IJHYDENE.2019.01.211
State	Published - 2019

Keywords

Hydrogen storage
Mechanochemistry
Solid-state NMR

Disciplines

Chemistry

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@article{3ad987ea57fa4f88a710a221e6d83a9b,

title = "Mechanochemical reactions and hydrogen storage capacities in MBH4–SiS2 systems (M Li or Na)",

abstract = " The  hydrogen storage  properties, and phase compositions of mechanochemically prepared mixtures of  x MBH 4 -SiS 2  ( x  = 2–8), where M = Li or Na, were investigated using gas  sorption  analysis,  powder X-ray diffraction , and infrared and  solid-state NMR  spectroscopic methods. The 2LiBH 4 :1SiS 2  system forms an amorphous product that releases ca. 4.3 wt % of H 2  below 385 °C with a T onset  of 88 °C without detectable  diborane  emission. The dehydrogenated sample reversibly absorbs 1.5 wt % of H 2  at 385 °C under 160 bar pressure. The H 2  release from materials with varying LiBH 4 :SiS 2  ratios peaks at 8.2 wt % for the 6LiBH 4 :1SiS 2  composition, with a reversible hydrogen storage capacity of 2.4 wt %. The H 2   desorption  capacities of the Li-containing systems surpass those of Na-containing systems. Solid-state NMR studies indicate that products of mechanochemical reactions in the LiBH 4 SiS 2  system consist of one-dimensional chains of edge-sharing SiS 4/2   tetrahedra  in which the non-bridging S-ends are terminated with Li + , which are further coordinated to the [BH 4 ] −   anions . A variety of possible  polymorphs  in the Li Si S-(BH 4 ) composition space have been identified using first principles and  thermodynamic modeling  that supports the likelihood of formation of such novel complexes. ",

keywords = "Hydrogen storage, Mechanochemistry, Solid-state NMR",

author = "Eric Majzoub",

note = "LiBH 4 SiS 2 system exhibits fast kinetics of hydrogen desorption at low temperatures. * 6LiBH 4 SiS 2 system releases the highest amount of H 2 (8.2 wt %) with T ons = 92 °C. * Pure hydrogen released upon decomposition without detectable diborane emission.",

year = "2019",

doi = "10.1016/J.IJHYDENE.2019.01.211",

language = "American English",

journal = "International Journal of Hydrogen Energy",

}

TY - JOUR

T1 - Mechanochemical reactions and hydrogen storage capacities in MBH4–SiS2 systems (M Li or Na)

AU - Majzoub, Eric

N1 - LiBH 4 SiS 2 system exhibits fast kinetics of hydrogen desorption at low temperatures. * 6LiBH 4 SiS 2 system releases the highest amount of H 2 (8.2 wt %) with T ons = 92 °C. * Pure hydrogen released upon decomposition without detectable diborane emission.

PY - 2019

Y1 - 2019

N2 - The  hydrogen storage  properties, and phase compositions of mechanochemically prepared mixtures of  x MBH 4 -SiS 2  ( x  = 2–8), where M = Li or Na, were investigated using gas  sorption  analysis,  powder X-ray diffraction , and infrared and  solid-state NMR  spectroscopic methods. The 2LiBH 4 :1SiS 2  system forms an amorphous product that releases ca. 4.3 wt % of H 2  below 385 °C with a T onset  of 88 °C without detectable  diborane  emission. The dehydrogenated sample reversibly absorbs 1.5 wt % of H 2  at 385 °C under 160 bar pressure. The H 2  release from materials with varying LiBH 4 :SiS 2  ratios peaks at 8.2 wt % for the 6LiBH 4 :1SiS 2  composition, with a reversible hydrogen storage capacity of 2.4 wt %. The H 2   desorption  capacities of the Li-containing systems surpass those of Na-containing systems. Solid-state NMR studies indicate that products of mechanochemical reactions in the LiBH 4 SiS 2  system consist of one-dimensional chains of edge-sharing SiS 4/2   tetrahedra  in which the non-bridging S-ends are terminated with Li + , which are further coordinated to the [BH 4 ] −   anions . A variety of possible  polymorphs  in the Li Si S-(BH 4 ) composition space have been identified using first principles and  thermodynamic modeling  that supports the likelihood of formation of such novel complexes.

AB - The  hydrogen storage  properties, and phase compositions of mechanochemically prepared mixtures of  x MBH 4 -SiS 2  ( x  = 2–8), where M = Li or Na, were investigated using gas  sorption  analysis,  powder X-ray diffraction , and infrared and  solid-state NMR  spectroscopic methods. The 2LiBH 4 :1SiS 2  system forms an amorphous product that releases ca. 4.3 wt % of H 2  below 385 °C with a T onset  of 88 °C without detectable  diborane  emission. The dehydrogenated sample reversibly absorbs 1.5 wt % of H 2  at 385 °C under 160 bar pressure. The H 2  release from materials with varying LiBH 4 :SiS 2  ratios peaks at 8.2 wt % for the 6LiBH 4 :1SiS 2  composition, with a reversible hydrogen storage capacity of 2.4 wt %. The H 2   desorption  capacities of the Li-containing systems surpass those of Na-containing systems. Solid-state NMR studies indicate that products of mechanochemical reactions in the LiBH 4 SiS 2  system consist of one-dimensional chains of edge-sharing SiS 4/2   tetrahedra  in which the non-bridging S-ends are terminated with Li + , which are further coordinated to the [BH 4 ] −   anions . A variety of possible  polymorphs  in the Li Si S-(BH 4 ) composition space have been identified using first principles and  thermodynamic modeling  that supports the likelihood of formation of such novel complexes.

KW - Hydrogen storage

KW - Mechanochemistry

KW - Solid-state NMR

UR - https://www.sciencedirect.com/science/article/abs/pii/S0360319919303702

U2 - 10.1016/J.IJHYDENE.2019.01.211

DO - 10.1016/J.IJHYDENE.2019.01.211

M3 - Article

JO - International Journal of Hydrogen Energy

JF - International Journal of Hydrogen Energy

ER -

Mechanochemical reactions and hydrogen storage capacities in MBH4–SiS2 systems (M Li or Na)

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