Experimental and Computational Insight into the Chemical Bonding and Electronic Structure of Clathrate Compounds in the Sn–In–As–I System

Autor:	Nadezhda V. Aleksandrova, Carlos Escudero, Vera S. Neudachina, Virginia Pérez-Dieste, M. E. Tamm, Andrei V. Shevelkov, Andrey A. Volykhov, Lada V. Yashina, L. N. Reshetova, Denis V. Vyalikh
Rok vydání:	2015
Předmět:	Inorganic Chemistry Crystal X-ray photoelectron spectroscopy Chemical bond Chemistry Clathrate hydrate Nanotechnology Electronic structure Physical and Theoretical Chemistry Converters Electronic band structure Thermoelectric materials
Zdroj:	Inorganic Chemistry. 54:11542-11549
ISSN:	1520-510X 0020-1669
DOI:	10.1021/acs.inorgchem.5b02223
Popis:	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 Sn(24-x-δ)InxAs(22-y)I8 clathrates obtained by means of photoelectron spectroscopy and complementary quantum modeling.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f7446728f142f4ec3bdf55b185811d2 https://doi.org/10.1021/acs.inorgchem.5b02223 Zobrazit plný text záznamu