DFT study on the adsorption of deprotonated benzotriazole on the defective copper surfaces
Fengting Li, Zhikun Wang, Yun-Ying Jiang, Chunling Li, Shuangqing Sun, Shougang Chen, Songqing Hu
Topics & Concepts
BenzotriazoleAdsorptionCopperVacancy defectImpurityDensity functional theoryMetalMaterials scienceCorrosionDeprotonationGrain boundaryInorganic chemistryCorrosion inhibitorCharge densityDopingChemistryChemical physicsComputational chemistryPhysical chemistryCrystallographyMetallurgyOrganic chemistryMicrostructureIonQuantum mechanicsOptoelectronicsPhysicsCorrosion Behavior and InhibitionElectrodeposition and Electroless CoatingsMetal and Thin Film Mechanics