Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity
Journal article
Walsh, A., Sokol, A.A., Buckeridge, J., Scanlon, D.O. and Catlow, C.R.A. (2017). Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity. The Journal of Physical Chemistry Letters. 8, pp. 2074-2075. https://doi.org/10.1021/acs.jpclett.7b00809
Authors | Walsh, A., Sokol, A.A., Buckeridge, J., Scanlon, D.O. and Catlow, C.R.A. |
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Abstract | The oxidation state of an element is a practically useful concept in chemistry. IUPAC defines it as “the charge an atom might be imagined to have when electrons are counted according to an agreed-upon set of rules”.(1) Once the composition of a compound is known, a trained chemist will immediately infer the oxidation states of its components, and in turn anticipate the structural, electronic, optical and magnetic properties of the material. This is a powerful heuristic tool. |
Year | 2017 |
Journal | The Journal of Physical Chemistry Letters |
Journal citation | 8, pp. 2074-2075 |
Digital Object Identifier (DOI) | https://doi.org/10.1021/acs.jpclett.7b00809 |
Web address (URL) | https://pubs.acs.org/doi/10.1021/acs.jpclett.7b00809 |
Publication dates | |
04 May 2017 | |
Publication process dates | |
Accepted | 19 May 2017 |
Deposited | 22 Oct 2019 |
Accepted author manuscript | License File Access Level Open |
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