|
Title
|
|
|
|
Synthesis, structure, and transport properties of type-I derived clathrate (x=15.4(1); y=0-2.65) with diverse host-guest bonding
| |
|
Author
|
|
|
|
| |
|
Abstract
|
|
|
|
| A first clathrate compound with selenium guest atoms, [Ge46-xPx]Se8-y square(y) (x = 15.4(1); y = 0-2.65; square denotes a vacancy), was synthesized as a single-phase and structurally characterized. It crystallizes in the space group Fm (3) over bar with the unit cell parameter a varying from 20.310(2) to 20.406(2) angstrom and corresponding to a 2 x 2 x 2 supercell of a usual clathrate-I structure. The superstructure is formed due to the symmetrical arrangement of the three-bonded framework atoms appearing as a result of the framework transformation of the parent clathrate-I structure. Selenium guest atoms occupy two types of polyhedral cages inside the positively charged framework; all selenium atoms in the larger cages form a single covalent bond with the framework atoms, relating the title compounds to a scanty family of semiclathrates. According to the measurements of electrical resistivity and Seebeck coefficient, [Ge46-xPx]Se8-y square(y) is an n-type semiconductor with E-g = 0.41 eV for x = 15.4(1) and y = 0; it demonstrates the maximal thermoelectric power factor of 2.3 x 10(-5) W K-2 m(-1) at 660 K. |
| |
|
Language
|
|
|
|
English
| |
|
Source (journal)
|
|
|
|
Inorganic chemistry / American Chemical Society. - Easton, Pa
| |
|
Publication
|
|
|
|
Easton, Pa
:
2013
| |
|
ISSN
|
|
|
|
0020-1669
| |
|
DOI
|
|
|
|
10.1021/IC3011025
| |
|
Volume/pages
|
|
|
|
52
:2
(2013)
, p. 577-588
| |
|
ISI
|
|
|
|
000314007500010
| |
|
Full text (Publisher's DOI)
|
|
|
|
| |
|