12638-76-5Relevant articles and documents
Hydriding and dehydriding properties of CaSi
Aoki, Masakazu,Ohba, Nobuko,Noritake, Tatsuo,Towata, Shin-Ichi
, p. 402 - 404 (2005)
The hydriding and dehydriding properties of CaSi were investigated both theoretically and experimentally. First-principles calculations suggested that CaSiHn is thermodynamically stable. Experimentally, the p -c isotherms clearly demonstrated plateau pressures in a temperature range of 473-573 K and the maximum hydrogen content was 1.9 weight % (wt.%) under a hydrogen pressure of 9 MPa at 473 K. The structure of CaSiHn is different from those of ZrNi hydrides, although CaSi has the CrB-type structure as well as ZrNi.
Structure and Properties of Hydrogenated Ca, Sr, Ba, and Eu Silicides
Armbruster, Markus,W?rle, Michael,Krumeich, Frank,Nesper, Reinhard
, p. 1758 - 1766 (2009)
The binary metal suicides CaSi, BaSi, SrSi, and EuSi that crystallize in the CrB type absorb reversibly hydrogen. Hydrogen contents of the products were measured by the carrier gas hot extraction method (CaSiHx: 1.56 wt %, x ≈ 1.06; SrSiHx
Synthesis and crystal structures of Ca4SiN4 and NEW POLYMORPH of Ca5Si2N6
Yamane, Hisanori,Morito, Haruhiko
, p. 5559 - 5563 (2013)
Single crystals of Ca4SiN4 were found in the product prepared by heating Ba, Ca, Si, NaN3, and Na at 900 C. Ca 4SiN4 [space group P21/c (No. 14), Z = 4, a = 9.1905(4) A, b = 5.9775(3) A, c = 11.0138(7) A, β = 116.4054(17) ] is isotypic with Ca4GeN4 and K 4SiO4. Isolated [SiN4]8- tetrahedra were identified in the structure by single-crystal X-ray diffraction. After reheating the product at 900 C, a new polymorph of Ca5Si 2N6 crystallized. The space group of the polymorph [C2/m (No. 12), Z = 4, a = 6.2712(5) A, b = 10.0175(8) A, c = 12.0287(8) A, β = 99.303(2) ] is different from C2/c previously reported for Ca5Si2N6, while both polymorphs are composed of Ca2+ and edge-sharing double tetrahedra [Si2N 6]10-.
Reversible hydriding and dehydriding properties of CaSi: Potential of metal silicides for hydrogen storage
Aoki,Ohba,Noritake,Towata
, p. 387 - 388 (2004)
The reversible hydriding and dehydriding properties of CaSi were investigated. First-principles calculations were performed to investigate the stability of CaSi hydride by the ultrasoft pseudo-potential method based on the density functional theory. A CaSi sample was examined by pressure-composition isotherm measurement, hydrogen analysis using the inert gas fusion method, and x-ray diffraction analysis. It was found that CaSi reversibly absorbs and desorbs hydrogen in a temperature range of 473-573 K. The reversible hydriding and dehydriding properties of CaSi indicate the potential of metal silicides for hydrogen storage.
Phase selection during calcium silicide formation for layered and powder growth
Wen, Cuilian,Kato, Akihiko,Nonomura, Tomomi,Tatsuoka, Hirokazu
, p. 4583 - 4587 (2011/04/22)
Phase selection during Ca silicide formation was discussed using the chemical potential and the effective heat of formation (ΔH′) models. The compositional analyses of Ca silicides were experimentally carried out in detail for both the layered and powder
