Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F23%3A00570788" target="_blank" >RIV/61388955:_____/23:00570788 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0342127" target="_blank" >https://hdl.handle.net/11104/0342127</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/adma.202208485" target="_blank" >10.1002/adma.202208485</a>
Alternative languages
Result language
angličtina
Original language name
Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties
Original language description
Quantum chemical bonding descriptors have recently been utilized to design materials with tailored properties. Their usage to facilitate a quantitative description of bonding in chalcogenides as well as the transition between different bonding mechanisms is reviewed. More importantly, these descriptors can also be employed as property predictors for several important material characteristics, including optical and transport properties. Hence, these quantum chemical bonding descriptors can be utilized to tailor material properties of chalcogenides relevant for thermoelectrics, photovoltaics, and phase-change memories. Relating material properties to bonding mechanisms also shows that there is a class of materials, which are characterized by unconventional properties such as a pronounced anharmonicity, a large chemical bond polarizability, and strong optical absorption. This unusual property portfolio is attributed to a novel bonding mechanism, fundamentally different from ionic, metallic, and covalent bonding, which is called “metavalent.” In the concluding section, a number of promising research directions are sketched, which explore the nature of the property changes upon changing bonding mechanism and extend the concept of quantum chemical property predictors to more complex compounds.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Advanced Materials
ISSN
0935-9648
e-ISSN
1521-4095
Volume of the periodical
35
Issue of the periodical within the volume
20
Country of publishing house
DE - GERMANY
Number of pages
28
Pages from-to
2208485
UT code for WoS article
000956917700001
EID of the result in the Scopus database
2-s2.0-85150731899