First-principles calculations on the resistance and electronic properties of H<sub>2</sub> adsorption on a CoO–SnO<sub>2</sub> heterojunction surface
Yunxia He, Jing Li, Lin Tao, Shuai Nie, Timing Fang, Xi-Tao Yin, Qi Wang
Abstract
Under the oxygen conditions, the presence of a heterojunction makes the adsorption of H 2 more stable according to the electron density.
Topics & Concepts
HeterojunctionAdsorptionMaterials scienceMetalDensity functional theorySubstrate (aquarium)OxygenInorganic chemistryChemistryPhysical chemistryComputational chemistryOptoelectronicsMetallurgyOrganic chemistryOceanographyGeologyGas Sensing Nanomaterials and SensorsZnO doping and propertiesIndustrial Gas Emission Control