72 citations · 145 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 72 cited
Advancement of the Homogeneous Background Method for the Computational Simulation of Electrochemical Interfaces
Arthur Hagopian, Marie-Liesse Doublet, Jean-Sébastien Filhol +1
Computational studies of electrochemical interfaces based on density-functional theory (DFT) play an increasingly important role in present research on electrochemical processes fo…
cond-mat.mtrl-sci2020★ 29 cited
Unexpected band gap increase in the Fe2VAl Heusler compound
A. Berche, M. Talla Noutack, M. -L. Doublet +1
Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric application…