Neutron diffraction and neutron vibrational sectroscopy studies of hydrogen adsorption in the Prussian blue analogue Cu3[Co(CN)6]2

被引：87

作者：

Hartman, Michael R. ^{[1
]}

Peterson, Vanessa K. ^{[1
]}

Liu, Yun ^{[1
]}

Kaye, Steven S. ^{[1
]}

Long, Jeffrey R. ^{[1
]}

机构：

[1] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA

来源：

CHEMISTRY OF MATERIALS | 2006年 / 18卷 / 14期

关键词：

D O I：

10.1021/cm0608600

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：

The adsorption of molecular hydrogen in the Prussian blue analogue Cu-3[Co(CN)(6)](2) was investigated using high-resolution neutron powder diffraction and neutron vibrational spectroscopy. Rietveld structural refinement of the neutron data for hydrogen loadings of 1, 2, and similar to 2.3 H-2/Cu showed that the hydrogen was absorbed at two sites within the structure. The most prominent adsorption site, located at the ( (1)/(4), (1)/(4), (1)/(4)) crystallographic site, was an interstitial location within the structure. The second adsorption site was associated with exposed Cu2+ ion coordination sites that result from the presence of [Co(CN)(6)](3-) vacancies within the structure of the material. The rotational-vibrational density of states of the adsorbed hydrogen was probed using neutron vibrational spectroscopy and showed a range of local binding potentials for the adsorbed hydrogen.

引用

页码：3221 / 3224

页数：4

共 9 条

[1] Selective recovery of dynamic guest structure, in a nanoporous Prussian blue through in situ X-ray diffraction: A differential pair distribution function analysis [J].

Chapman, KW ;

Chupas, PJ ;

Kepert, CJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (32) :11232-11233

[2] Reversible hydrogen gas uptake in nanoporous Prussian Blue analogues [J].

Chapman, KW ;

Southon, PD ;

Weeks, CL ;

Kepert, CJ .

CHEMICAL COMMUNICATIONS, 2005, (26) :3322-3324

[3] Crystalline, mixed-valence manganese analogue of Prussian blue:: Magnetic, spectroscopic, X-ray and neutron diffraction studies [J].

Franz, P ;

Ambrus, C ;

Hauser, A ;

Chernyshov, D ;

Hostettler, M ;

Hauser, J ;

Keller, L ;

Krämer, K ;

Stoeckli-Evans, H ;

Pattison, P ;

Bürgi, HB ;

Decurtins, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (50) :16472-16477

[4] Hydrogen storage in the dehydrated Prussian blue analogues M3[Co(CN)6]2 (M = Mn, Fe, Co, Ni, Cu, Zn) [J].

Kaye, SS ;

Long, JR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (18) :6506-6507

[5]

Larson A.C., 2000, 86748 LAUR LOS AL NA

[6] Hydrogen storage in microporous metal-organic frameworks [J].

Rosi, NL ;

Eckert, J ;

Eddaoudi, M ;

Vodak, DT ;

Kim, J ;

O'Keeffe, M ;

Yaghi, OM .

SCIENCE, 2003, 300 (5622) :1127-1129

[7] Characterization of H2 binding sites in prototypical metal-organic frameworks by inelastic neutron scattering [J].

Rowsell, JLC ;

Eckert, J ;

Yaghi, OM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (42) :14904-14910

[8] EXPGUI, a graphical user interface for GSAS [J].

Toby, BH .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2001, 34 :210-213

[9] Origin and removal of spurious background peaks in vibrational spectra measured by filter-analyzer neutron spectrometers [J].

Udovic, TJ ;

Neumann, DA ;

Leao, J ;

Brown, CM .

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 2004, 517 (1-3) :189-201

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