87 citations · 130 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 1 cited
Computational screening of cathode materials for Zn-ion rechargeable batteries
Sriram Anand, Caio Miranda Miliante, Storm Gourley +3
We propose a comprehensive set of indicators (including methods to obtain and analyse them) for computational screening of candidate cathode materials for rechargeable Zn-ion aqueo…
cond-mat.mtrl-sci2022
Electrochemical stability of ZnMn2O4: Understanding Zn-ion rechargeable battery capacity and degradation
Oleg Rubel, Thuy Nguyen Thanh Tran, Storm Gourley +5
We present a refined Mn-Zn-HO Pourbaix diagram with the emphasis on parameters relevant for the Zn/MnO rechargeable cells. It maps out boundaries of electrochemical stabili…
physics.comp-ph2022★ 6 cited
Length-gauge optical matrix elements in WIEN2k
Oleg Rubel, Peter Blaha
Hybrid exchange-correlation functionals provide superior electronic structure and optical properties of semiconductors or insulators as compared to semilocal exchange-correlation p…