2 papers
cond-mat.mtrl-sci2023
Electrolyte Coatings for High Adhesion Interfaces in Solid-state Batteries from First Principles
Brandi Ransom, Akash Ramdas, Eder Lomeli +5
We introduce an adhesion parameter that enables rapid screening for materials interfaces with high adhesion. This parameter is obtained by density functional theory calculations of…
cond-mat.mtrl-sci2020
Discovery of stable surfaces with extreme work functions by high-throughput density functional theory and machine learning
Peter Schindler, Evan R. Antoniuk, Gowoon Cheon +2
The work function is the key surface property that determines how much energy is required for an electron to escape the surface of a material. This property is crucial for thermion…