Research output: Contribution to journal › Article › peer-review
Experimental and Computational Insight into the Chemical Bonding and Electronic Structure of Clathrate Compounds in the Sn-In-As-I System. / Yashina, Lada V.; Volykhov, Andrey A.; Neudachina, Vera S.; Aleksandrova, Nadezhda V.; Reshetova, Liudmila N.; Tamm, Marina E.; Pérez-Dieste, Virginia; Escudero, Carlos; Vyalikh, Denis V.; Shevelkov, Andrei V.
In: Inorganic Chemistry, Vol. 54, No. 23, 17.11.2015, p. 11542-11549.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Experimental and Computational Insight into the Chemical Bonding and Electronic Structure of Clathrate Compounds in the Sn-In-As-I System
AU - Yashina, Lada V.
AU - Volykhov, Andrey A.
AU - Neudachina, Vera S.
AU - Aleksandrova, Nadezhda V.
AU - Reshetova, Liudmila N.
AU - Tamm, Marina E.
AU - Pérez-Dieste, Virginia
AU - Escudero, Carlos
AU - Vyalikh, Denis V.
AU - Shevelkov, Andrei V.
PY - 2015/11/17
Y1 - 2015/11/17
N2 - Inorganic clathrate materials are of great fundamental interest and potential practical use for application as thermoelectric materials in freon-free refrigerators, waste-heat converters, direct solar thermal energy converters, and many others. Experimental studies of their electronic structure and bonding have been, however, strongly restricted by (i) the crystal size and (ii) essential difficulties linked with the clean surface preparation. Overcoming these handicaps, we present for the first time a comprehensive picture of the electronic band structure and the chemical bonding for the Sn24-x-δInxAs22-yI8 clathrates obtained by means of photoelectron spectroscopy and complementary quantum modeling.
AB - Inorganic clathrate materials are of great fundamental interest and potential practical use for application as thermoelectric materials in freon-free refrigerators, waste-heat converters, direct solar thermal energy converters, and many others. Experimental studies of their electronic structure and bonding have been, however, strongly restricted by (i) the crystal size and (ii) essential difficulties linked with the clean surface preparation. Overcoming these handicaps, we present for the first time a comprehensive picture of the electronic band structure and the chemical bonding for the Sn24-x-δInxAs22-yI8 clathrates obtained by means of photoelectron spectroscopy and complementary quantum modeling.
UR - http://www.scopus.com/inward/record.url?scp=84949478978&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.5b02223
DO - 10.1021/acs.inorgchem.5b02223
M3 - Article
AN - SCOPUS:84949478978
VL - 54
SP - 11542
EP - 11549
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 23
ER -
ID: 134930582