Ab initio thermodynamic properties of certain compounds in Nd-Fe-B system
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.109696
Abstract: Abstract In this work, we report the results of ab initio calculations of thermochemical properties of several compounds in the Fe-Nd, B-Nd and B-Fe-Nd systems. We have performed DFT + U calculations to compute the enthalpy of… read more here.
Keywords: certain compounds; compounds system; thermodynamic properties; properties certain ... See more keywords
Ab initio thermodynamic optimization of Ni-rich Ni–Co–Mn oxide cathode coatings
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Power Sources"
DOI: 10.1016/j.jpowsour.2019.227693
Abstract: Abstract The effectiveness of surface coatings in improving the stability and cycling performance of cathodes has been demonstrated since they are first proposed in the 1990's. However, the progress since then is made mostly using… read more here.
Keywords: cathode coatings; initio thermodynamic; oxide cathode; thermodynamic optimization ... See more keywords