4 papers
Adsorption energies are necessary but not sufficient to identify good catalysts
Shahana Chatterjee, Alexander Davis, Lena Podina +7
As a core technology for green chemical synthesis and electrochemical energy storage, electrocatalysis is central to decarbonization strategies aimed at combating climate change. I…
OBELiX: A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
Félix Therrien, Jamal Abou Haibeh, Divya Sharma +10
Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved…
Size-induced Exchange Bias in Single-phase CoO Nanoparticles
Vikash Sharma, Sudip Pal, Divya Sharma +3
We report exchange bias (EB) in single-phase CoO nanoparticles, where two magnetic phases naturally emerge as the crystallite size decreases from 34.6 to 10.8 nm. The Néel temperat…
Crystal-GFN: sampling crystals with desirable properties and constraints
Mila AI4Science, :, Alex Hernandez-Garcia +11
The discovery of novel solid-state materials, such as electrocatalysts, super-ionic conductors, or photovoltaic materials, plays a critical role in addressing various global challe…