Implicit self-consistent electrolyte model in plane-wave density-functional theory
K Mathew, VS Kolluru, S Mula, SN Steinmann… - The Journal of …, 2019 - pubs.aip.org
The ab initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …
Implicit self-consistent electrolyte model in plane-wave density-functional theory
K Mathew, VS Kolluru, S Mula… - Journal of Chemical …, 2019 - ui.adsabs.harvard.edu
The ab initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …
[PDF][PDF] Implicit self-consistent electrolyte model in plane-wave density-functional theory
K Mathew, VSC Kolluru, SN Srinidhi Mula… - hal.science
The ab-initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …