Litcius/Paper detail

First principles DFT analysis on the diffusion kinetics of hydrogen isotopes through bcc iron (Fe): Role of temperature and surface coverage

Anil Boda, Sk. Musharaf Ali

2022International Journal of Hydrogen Energy30 citationsDOI

Topics & Concepts

ThermodynamicsTransition state theoryMaterials scienceActivation energyThermal diffusivityEmbrittlementDensity functional theoryArrhenius equationArrhenius plotHydrogenPhysical chemistryReaction rate constantChemistryKineticsMetallurgyComputational chemistryPhysicsQuantum mechanicsOrganic chemistryNuclear Materials and PropertiesHydrogen embrittlement and corrosion behaviors in metalsFusion materials and technologies
First principles DFT analysis on the diffusion kinetics of hydrogen isotopes through bcc iron (Fe): Role of temperature and surface coverage | Litcius