Structural and electronic changes in Ga–In and Ga–Sn alloys on melting
Charlie Ruffman, Stephanie Lambie, Krista G. Steenbergen, Nicola Gaston
Abstract
reduction. This work contributes to our understanding of the properties of liquid metal systems, and provides a foundation for modelling catalysis on these materials.
Topics & Concepts
DopantMaterials scienceDensity functional theoryAb initioChemical physicsCharge densityMolecular dynamicsElectronic structureMetalComputational chemistryCrystallographyPhysical chemistryDopingChemistryMetallurgyOrganic chemistryOptoelectronicsPhysicsQuantum mechanicsnanoparticles nucleation surface interactionsCO2 Reduction Techniques and CatalystsMachine Learning in Materials Science