Oxidation states of binary oxides from data analytics of the electronic structure
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.01.046
Abstract: Abstract Despite their simplicity, the concepts of oxidation states (OS) and Bader charge are widely used in the analysis of experimental data and theoretical calculations for gaining physical and chemical insights. However, a connection between… read more here.
Keywords: data analytics; bader charge; oxides data; oxidation states ... See more keywords
Bader Charge Balance Mechanism Realizes Industrial-Grade Current Hydrogen Production.
Sign Up to like & getrecommendations! Published in 2025 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.5c00590
Abstract: The hydrogen production technology of water splitting under a high current density is the key to solve the efficient utilization of hydrogen energy. However, it is difficult for existing catalysts to exhibit bifunctional high-current activity… read more here.
Keywords: site; hydrogen production; charge; bader charge ... See more keywords