High Pressure Behavior of Hydrogen Storage Material Guanidinium Borohydride

被引：9

作者：

Qi, Guangyu ^{[1
]}

Wang, Kai ^{[1
]}

Li, Xiaodong ^{[2
]}

Zou, Bo ^{[1
]}

机构：

[1] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China

[2] Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Lab, Beijing 100039, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2016年 / 120卷 / 25期

关键词：

INDUCED PHASE-TRANSITION; AMMONIA-BORANE; SUPRAMOLECULAR STRUCTURE; THERMAL-DECOMPOSITION; BONDS; RAMAN;

D O I：

10.1021/acs.jpcc.6b04154

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A combination of synchrotron powder angle-dispersive X-ray diffraction (ADXRD) and Raman spectroscopy has been utilized to study high pressure behavior of the chemical hydrogen storage material guanidinium borohydride (GBH) [C(NH2)(3)] [BH4](-). A reversible structural phase transition was observed at approximately 0.4 GPa, evidenced by the obvious changes in ADXRD patterns and Raman spectra. Both Raman spectra and the first-principles calculation revealed that new dihydrogen bonds generated under high pressure, which was proposed to be the reason for the observed phase transition. This research explored the pressure induced changes of GBH and studied the evolution of dihydrogen bonds, which can give insight into the improvement of the hydrogen release properties.

引用

页码：13414 / 13420

页数：7

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