Recent progress in hydrogen-rich materials from the perspective of bonding flexibility of hydrogen
作者： Shigeyuki Takagi , Shin-ichi Orimo
DOI: 10.1016/J.SCRIPTAMAT.2015.07.024
关键词: Computational chemistry 、 Materials science 、 Hydrogen storage 、 Nanotechnology 、 Electronegativity 、 Cohesion (chemistry) 、 Hydrogen
摘要: Abstract The bonding flexibility of hydrogen is a source various interesting functionalities in hydrides. Here, we illustrate the benefits this through several selected examples recent progress development storage materials. From viewpoint electronegativity, discuss diverse cohesion and materials science underlying
elsevier.com
sci-hub.se 参考文章(47)
Linus Pauling, The Nature of the Chemical Bond ,(1939)
Motoaki Matsuo, Kazutoshi Miwa, Satoshi Semboshi, Hai-Wen Li, Mika Kano, Shin-ichi Orimo, First-principles studies of complex hydride YMn2H6 and its synthesis from metal hydride YMn2H4.5 Applied Physics Letters. ,vol. 98, pp. 221908- ,(2011) , 10.1063/1.3597363
Klaus Yvon, Guillaume Renaudin, CM Wei, MY Chou, None, Hydrogenation-induced insulating state in the intermetallic compound LaMg2Ni. Physical Review Letters. ,vol. 94, pp. 066403- 066403 ,(2005) , 10.1103/PHYSREVLETT.94.066403
P. Vajeeston, P. Ravindran, A. Kjekshus, H. Fjellvåg, Reply to “Comment on ‘Structural stability and electronic structure for Li 3 Al H 6 ’ ” Physical Review B. ,vol. 71, pp. 216102- ,(2005) , 10.1103/PHYSREVB.71.216102
Terry D. Humphries, Shigeyuki Takagi, Guanqiao Li, Motoaki Matsuo, Toyoto Sato, Magnus H. Sørby, Stefano Deledda, Bjørn C. Hauback, Shin-ichi Orimo, Complex transition metal hydrides incorporating ionic hydrogen: Synthesis and characterization of Na2Mg2FeH8 and Na2Mg2RuH8 Journal of Alloys and Compounds. ,vol. 645, pp. S347- S352 ,(2015) , 10.1016/J.JALLCOM.2014.12.113
Ryutaro Sato, Hiroyuki Saitoh, Naruki Endo, Shigeyuki Takagi, Motoaki Matsuo, Katsutoshi Aoki, Shin-ichi Orimo, Formation process of perovskite-type hydride LiNiH3: In situ synchrotron radiation X-ray diffraction study Applied Physics Letters. ,vol. 102, pp. 091901- ,(2013) , 10.1063/1.4794067
Karim Kadir, Dag Noréus, A New Synthetic Route to Mg2Na2NiH6 Where a [NiH4] Complex Is for the First Time Stabilized by Alkali Metal Counterions Inorganic Chemistry. ,vol. 46, pp. 2220- 2223 ,(2007) , 10.1021/IC0620586
Yuko Nakamori, Kazutoshi Miwa, Akihito Ninomiya, Haiwen Li, Nobuko Ohba, Shin-ichi Towata, Andreas Züttel, Shin-ichi Orimo, Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: First-principles calculations and experiments Physical Review B. ,vol. 74, pp. 045126- ,(2006) , 10.1103/PHYSREVB.74.045126
Tamio Ikeshoji, Eiji Tsuchida, Shigeyuki Takagi, Motoaki Matsuo, Shin-ichi Orimo, Magnesium ion dynamics in Mg(BH4)2(1−x)X2x(X = Cl or AlH4) from first-principles molecular dynamics simulations RSC Adv.. ,vol. 4, pp. 1366- 1370 ,(2014) , 10.1039/C3RA42453G
Shigeyuki Takagi, Tamio Ikeshoji, Motoaki Matsuo, Toyoto Sato, Hiroyuki Saitoh, Katsutoshi Aoki, Shin-ichi Orimo, Unusual sevenfold coordination of Ru in complex hydride Na 3 RuH 7 : Prospect for formation of [FeH 7 ] 3– anion Applied Physics Letters. ,vol. 103, pp. 113903- ,(2013) , 10.1063/1.4821260