Insights into vitamin B3, B6 and C as inhibitor of steel reinforcement: A DFT + U study
Yue Zhang, Qingqing Xu, Ming Sun, Chuansheng Xiong, Pan Wang, Zheng Chen, Guoxing Sun, Jing Guan, Zhiheng Ding, Mengmeng Li, Dongshuai Hou
Topics & Concepts
Adsorptionvan der Waals forceDensity functional theoryMoleculeChemical bondComputational chemistryMaterials scienceChemistryCharge densityInorganic chemistryPhysical chemistryOrganic chemistryQuantum mechanicsPhysicsCorrosion Behavior and InhibitionConcrete and Cement Materials ResearchConcrete Corrosion and Durability